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O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000274673933 1072144916 /nfs/dbraw/zinc/14/49/16/1072144916.db2.gz KJSKLXPMQPHIJQ-HUUCEWRRSA-N 0 0 383.426 -0.561 20 5 GBBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000274673938 1072144900 /nfs/dbraw/zinc/14/49/00/1072144900.db2.gz KJSKLXPMQPHIJQ-LSDHHAIUSA-N 0 0 383.426 -0.561 20 5 GBBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000274674025 1072144923 /nfs/dbraw/zinc/14/49/23/1072144923.db2.gz KMCJMUQOMNALHO-CVEARBPZSA-N 0 0 397.453 -0.171 20 5 GBBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000274674031 1072144557 /nfs/dbraw/zinc/14/45/57/1072144557.db2.gz KMCJMUQOMNALHO-HOTGVXAUSA-N 0 0 397.453 -0.171 20 5 GBBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000274674036 1072145019 /nfs/dbraw/zinc/14/50/19/1072145019.db2.gz KMCJMUQOMNALHO-HZPDHXFCSA-N 0 0 397.453 -0.171 20 5 GBBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000274674041 1072145067 /nfs/dbraw/zinc/14/50/67/1072145067.db2.gz KMCJMUQOMNALHO-JKSUJKDBSA-N 0 0 397.453 -0.171 20 5 GBBDRN Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000274689934 1072146276 /nfs/dbraw/zinc/14/62/76/1072146276.db2.gz PKTNDOHHQSWUDJ-KBPBESRZSA-N 0 0 398.441 -0.599 20 5 GBBDRN Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000274689935 1072146254 /nfs/dbraw/zinc/14/62/54/1072146254.db2.gz PKTNDOHHQSWUDJ-KGLIPLIRSA-N 0 0 398.441 -0.599 20 5 GBBDRN Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000274689936 1072146298 /nfs/dbraw/zinc/14/62/98/1072146298.db2.gz PKTNDOHHQSWUDJ-UONOGXRCSA-N 0 0 398.441 -0.599 20 5 GBBDRN Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(N)c([N+](=O)[O-])c1 ZINC000274689937 1072146274 /nfs/dbraw/zinc/14/62/74/1072146274.db2.gz PKTNDOHHQSWUDJ-ZIAGYGMSSA-N 0 0 398.441 -0.599 20 5 GBBDRN 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COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000274749223 1072161985 /nfs/dbraw/zinc/16/19/85/1072161985.db2.gz LZLMROOQMKBTOA-UHFFFAOYSA-N 0 0 390.360 -0.034 20 5 GBBDRN CCN(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274818033 1072218657 /nfs/dbraw/zinc/21/86/57/1072218657.db2.gz PTVRLRMIJZEMQN-UHFFFAOYSA-N 0 0 387.418 -0.349 20 5 GBBDRN COc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1[N+](=O)[O-] ZINC000274857334 1072220470 /nfs/dbraw/zinc/22/04/70/1072220470.db2.gz HILJUGUIBFZZJA-UHFFFAOYSA-N 0 0 390.360 -0.034 20 5 GBBDRN CCN(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000274864054 1072221606 /nfs/dbraw/zinc/22/16/06/1072221606.db2.gz YDZLNHNYPDZCLL-UHFFFAOYSA-N 0 0 387.418 -0.349 20 5 GBBDRN CCN(C)C(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000274873047 1072222677 /nfs/dbraw/zinc/22/26/77/1072222677.db2.gz ZSBGZBRXQPFLLF-UHFFFAOYSA-N 0 0 387.418 -0.349 20 5 GBBDRN CCN(C)C(=O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000274882511 1072223472 /nfs/dbraw/zinc/22/34/72/1072223472.db2.gz ZUZSDAPWQWCGDC-UHFFFAOYSA-N 0 0 387.418 -0.361 20 5 GBBDRN O=C(C(=O)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000274906100 1072224079 /nfs/dbraw/zinc/22/40/79/1072224079.db2.gz RKZFSZPESZNZSL-UHFFFAOYSA-N 0 0 377.357 -0.398 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000274919430 530302600 /nfs/dbraw/zinc/30/26/00/530302600.db2.gz MLLLEJJHPVBWKR-GFCCVEGCSA-N 0 0 392.411 -0.303 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000274919433 530131085 /nfs/dbraw/zinc/13/10/85/530131085.db2.gz MLLLEJJHPVBWKR-LBPRGKRZSA-N 0 0 392.411 -0.303 20 5 GBBDRN O=C(CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000274925455 1072226147 /nfs/dbraw/zinc/22/61/47/1072226147.db2.gz BNLIZNLVNIWRFD-UHFFFAOYSA-N 0 0 379.373 -0.688 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1C[C@@H](O)C[C@H]1CO ZINC000274932677 1072226591 /nfs/dbraw/zinc/22/65/91/1072226591.db2.gz LTKDTVGNGCXCFE-QWRGUYRKSA-N 0 0 388.402 -0.990 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274932829 530131176 /nfs/dbraw/zinc/13/11/76/530131176.db2.gz PKWZLDWNEHIZJL-JTQLQIEISA-N 0 0 396.374 -0.305 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274932831 530130861 /nfs/dbraw/zinc/13/08/61/530130861.db2.gz PKWZLDWNEHIZJL-SNVBAGLBSA-N 0 0 396.374 -0.305 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1CO ZINC000274939311 1072226595 /nfs/dbraw/zinc/22/65/95/1072226595.db2.gz NGOGTTYCRODKCA-RYUDHWBXSA-N 0 0 388.402 -0.990 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)C[C@H]1CO ZINC000274940570 1072227101 /nfs/dbraw/zinc/22/71/01/1072227101.db2.gz NMCBDUZYPGECCD-RYUDHWBXSA-N 0 0 388.402 -0.990 20 5 GBBDRN CC(=O)N1CCN(c2ccc(C(=O)NC(C)(CO)CO)cc2[N+](=O)[O-])CC1 ZINC000274944347 1072228017 /nfs/dbraw/zinc/22/80/17/1072228017.db2.gz QECBPLQGOVCXHU-UHFFFAOYSA-N 0 0 380.401 -0.264 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000274945482 530131016 /nfs/dbraw/zinc/13/10/16/530131016.db2.gz RROUJPFKLVHKGY-JTQLQIEISA-N 0 0 396.374 -0.305 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000274945485 530348030 /nfs/dbraw/zinc/34/80/30/530348030.db2.gz RROUJPFKLVHKGY-SNVBAGLBSA-N 0 0 396.374 -0.305 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274947980 530130808 /nfs/dbraw/zinc/13/08/08/530130808.db2.gz SAVKGABFHIVOQE-LLVKDONJSA-N 0 0 378.384 -0.445 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000274947986 530235412 /nfs/dbraw/zinc/23/54/12/530235412.db2.gz SAVKGABFHIVOQE-NSHDSACASA-N 0 0 378.384 -0.445 20 5 GBBDRN O=C(NCCS(=O)(=O)N1CCSCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274988627 530451684 /nfs/dbraw/zinc/45/16/84/530451684.db2.gz RDEYLJSTUHATOP-UHFFFAOYSA-N 0 0 376.416 -0.196 20 5 GBBDRN CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000275003280 1072230853 /nfs/dbraw/zinc/23/08/53/1072230853.db2.gz HETRZOQKLOZDRM-UHFFFAOYSA-N 0 0 385.398 -0.023 20 5 GBBDRN CS(=O)(=O)c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000275018172 530130765 /nfs/dbraw/zinc/13/07/65/530130765.db2.gz LHSIXQSTHIHTKO-UHFFFAOYSA-N 0 0 391.427 -0.236 20 5 GBBDRN COc1c(F)cc(S(=O)(=O)NCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000275021823 530130903 /nfs/dbraw/zinc/13/09/03/530130903.db2.gz ADXZDTUPZVIMTR-UHFFFAOYSA-N 0 0 376.322 -0.427 20 5 GBBDRN COCCNC(=O)CNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000275037690 1072235017 /nfs/dbraw/zinc/23/50/17/1072235017.db2.gz DNYIDMCQXSTFLA-UHFFFAOYSA-N 0 0 390.374 -0.186 20 5 GBBDRN COC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC(N)=O)cc1[N+](=O)[O-] ZINC000275044426 1072235541 /nfs/dbraw/zinc/23/55/41/1072235541.db2.gz GBRINWGRNPDRES-UHFFFAOYSA-N 0 0 389.346 -0.364 20 5 GBBDRN O=C1OCCN1c1ccc(S(=O)(=O)NCCOCCO)cc1[N+](=O)[O-] ZINC000275047334 530131005 /nfs/dbraw/zinc/13/10/05/530131005.db2.gz GMLCILFMWHDGAY-UHFFFAOYSA-N 0 0 375.359 -0.161 20 5 GBBDRN COC(=O)Nc1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275051092 530492792 /nfs/dbraw/zinc/49/27/92/530492792.db2.gz GTRSTJPZNMIVBX-UHFFFAOYSA-N 0 0 396.403 -0.399 20 5 GBBDRN COc1c(F)cc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1[N+](=O)[O-] ZINC000275079732 1072243702 /nfs/dbraw/zinc/24/37/02/1072243702.db2.gz NFLWYMBGTOSLFV-UHFFFAOYSA-N 0 0 390.349 -0.037 20 5 GBBDRN COC[C@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000275110307 530127441 /nfs/dbraw/zinc/12/74/41/530127441.db2.gz WASCWBXFBROZNV-SECBINFHSA-N 0 0 375.359 -0.163 20 5 GBBDRN COC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000275110309 530127453 /nfs/dbraw/zinc/12/74/53/530127453.db2.gz WASCWBXFBROZNV-VIFPVBQESA-N 0 0 375.359 -0.163 20 5 GBBDRN COC(=O)Nc1ccc(S(=O)(=O)NCCOCC(N)=O)cc1[N+](=O)[O-] ZINC000275113004 530130434 /nfs/dbraw/zinc/13/04/34/530130434.db2.gz WVAZYPXSVIKJIM-UHFFFAOYSA-N 0 0 376.347 -0.447 20 5 GBBDRN COc1c(F)cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000275118741 530130324 /nfs/dbraw/zinc/13/03/24/530130324.db2.gz XVLYJFYVYLDMAA-UHFFFAOYSA-N 0 0 398.394 -0.748 20 5 GBBDRN COc1ccc(C(=O)NCC(=O)N2CCN(C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000275127319 1072251083 /nfs/dbraw/zinc/25/10/83/1072251083.db2.gz JIYIWRZMZAVOQJ-LBPRGKRZSA-N 0 0 380.401 -0.142 20 5 GBBDRN NCC(F)(F)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000275133909 530131629 /nfs/dbraw/zinc/13/16/29/530131629.db2.gz NHZQITQWKVVTMQ-UHFFFAOYSA-N 0 0 381.361 -0.246 20 5 GBBDRN C[C@H](O)CN1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000275146947 1072253032 /nfs/dbraw/zinc/25/30/32/1072253032.db2.gz QRNCFDUCUFRIKW-NSHDSACASA-N 0 0 376.369 -0.284 20 5 GBBDRN Cc1c(C(=O)N2CCN(C[C@H](C)O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000275156816 1072253044 /nfs/dbraw/zinc/25/30/44/1072253044.db2.gz WESIKHZGXBRTEN-JTQLQIEISA-N 0 0 386.430 -0.311 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275253755 1072259415 /nfs/dbraw/zinc/25/94/15/1072259415.db2.gz IWDDTFMHAKKYBE-GFCCVEGCSA-N 0 0 399.381 -0.877 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275253757 1072259284 /nfs/dbraw/zinc/25/92/84/1072259284.db2.gz IWDDTFMHAKKYBE-LBPRGKRZSA-N 0 0 399.381 -0.877 20 5 GBBDRN COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000275262726 1072260197 /nfs/dbraw/zinc/26/01/97/1072260197.db2.gz PBGTVZRGZDHBNR-LLVKDONJSA-N 0 0 388.358 -0.352 20 5 GBBDRN COC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000275262731 1072260019 /nfs/dbraw/zinc/26/00/19/1072260019.db2.gz PBGTVZRGZDHBNR-NSHDSACASA-N 0 0 388.358 -0.352 20 5 GBBDRN CNC(=O)CN1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000275286234 1072263573 /nfs/dbraw/zinc/26/35/73/1072263573.db2.gz SQDJKKIZWOEGNX-UHFFFAOYSA-N 0 0 390.393 -0.205 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275287041 1072264044 /nfs/dbraw/zinc/26/40/44/1072264044.db2.gz NWPCRMSRCKMDJH-GFCCVEGCSA-N 0 0 390.345 -0.089 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000275287044 1072264152 /nfs/dbraw/zinc/26/41/52/1072264152.db2.gz NWPCRMSRCKMDJH-LBPRGKRZSA-N 0 0 390.345 -0.089 20 5 GBBDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000275296969 1072264848 /nfs/dbraw/zinc/26/48/48/1072264848.db2.gz PNKHXTVBDUAVFJ-CYBMUJFWSA-N 0 0 385.398 -0.170 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000275296972 1072264822 /nfs/dbraw/zinc/26/48/22/1072264822.db2.gz PNKHXTVBDUAVFJ-ZDUSSCGKSA-N 0 0 385.398 -0.170 20 5 GBBDRN COc1c(F)cc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000275326714 530131440 /nfs/dbraw/zinc/13/14/40/530131440.db2.gz YOEGUFSPGXSLBN-UHFFFAOYSA-N 0 0 385.395 -0.040 20 5 GBBDRN COc1c(F)cc(S(=O)(=O)NCCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000275345291 530131394 /nfs/dbraw/zinc/13/13/94/530131394.db2.gz FSKPPNILCJKOJU-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/20/89/60/1072208960.db2.gz VHAAQETZNOUXTG-LBPRGKRZSA-N 0 0 395.401 -0.412 20 5 GBBDRN COc1ccc(OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1[N+](=O)[O-] ZINC000276772450 1072217277 /nfs/dbraw/zinc/21/72/77/1072217277.db2.gz OTYUEYONLRFEEJ-UHFFFAOYSA-N 0 0 389.324 -0.044 20 5 GBBDRN COc1ccc(OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000276776409 1072217785 /nfs/dbraw/zinc/21/77/85/1072217785.db2.gz PTJXNRPRTQCEFG-UHFFFAOYSA-N 0 0 389.324 -0.044 20 5 GBBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000276782374 530132111 /nfs/dbraw/zinc/13/21/11/530132111.db2.gz IFUIVVWFBHEHPS-UHFFFAOYSA-N 0 0 378.432 -0.279 20 5 GBBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2C(N)=O)c(C)c1[N+](=O)[O-] ZINC000276799150 1072225514 /nfs/dbraw/zinc/22/55/14/1072225514.db2.gz KLLJXPZQDZAYTL-JTQLQIEISA-N 0 0 388.358 -0.005 20 5 GBBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2C(N)=O)c(C)c1[N+](=O)[O-] ZINC000276799163 1072225047 /nfs/dbraw/zinc/22/50/47/1072225047.db2.gz KLLJXPZQDZAYTL-SNVBAGLBSA-N 0 0 388.358 -0.005 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276810623 1072227819 /nfs/dbraw/zinc/22/78/19/1072227819.db2.gz DQKNYEIPXVIJDQ-GFCCVEGCSA-N 0 0 394.340 -0.659 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276810628 1072228234 /nfs/dbraw/zinc/22/82/34/1072228234.db2.gz DQKNYEIPXVIJDQ-LBPRGKRZSA-N 0 0 394.340 -0.659 20 5 GBBDRN COC(=O)CC[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000276812545 1072228421 /nfs/dbraw/zinc/22/84/21/1072228421.db2.gz GEBHPCUYBFMEAY-GFCCVEGCSA-N 0 0 381.341 -0.064 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c(C)c([N+](=O)[O-])c1 ZINC000276814754 1072228635 /nfs/dbraw/zinc/22/86/35/1072228635.db2.gz FBWYXLABBDCWCZ-UHFFFAOYSA-N 0 0 399.381 -0.115 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)c(C)c([N+](=O)[O-])c1 ZINC000276821414 1072230298 /nfs/dbraw/zinc/23/02/98/1072230298.db2.gz FOMGRTPYGYHDBS-JTQLQIEISA-N 0 0 378.341 -0.025 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)c(C)c([N+](=O)[O-])c1 ZINC000276821419 1072230452 /nfs/dbraw/zinc/23/04/52/1072230452.db2.gz FOMGRTPYGYHDBS-SNVBAGLBSA-N 0 0 378.341 -0.025 20 5 GBBDRN COCCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276821684 1072230567 /nfs/dbraw/zinc/23/05/67/1072230567.db2.gz FRISUXVGUFNRTO-UHFFFAOYSA-N 0 0 396.356 -0.493 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCN(C)C(=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276826500 1072231430 /nfs/dbraw/zinc/23/14/30/1072231430.db2.gz GAPQLLYTEILENN-UHFFFAOYSA-N 0 0 378.341 -0.071 20 5 GBBDRN COC(=O)[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000276827285 530132490 /nfs/dbraw/zinc/13/24/90/530132490.db2.gz OCVTUAQNDPGNEL-MRVPVSSYSA-N 0 0 377.331 -0.068 20 5 GBBDRN COC(=O)[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000276827287 530132556 /nfs/dbraw/zinc/13/25/56/530132556.db2.gz OCVTUAQNDPGNEL-QMMMGPOBSA-N 0 0 377.331 -0.068 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000276842100 1072236867 /nfs/dbraw/zinc/23/68/67/1072236867.db2.gz HWEIMJMHCKFLIL-SECBINFHSA-N 0 0 378.341 -0.025 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000276842103 1072236555 /nfs/dbraw/zinc/23/65/55/1072236555.db2.gz HWEIMJMHCKFLIL-VIFPVBQESA-N 0 0 378.341 -0.025 20 5 GBBDRN CCN(CC(N)=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276843418 1072236533 /nfs/dbraw/zinc/23/65/33/1072236533.db2.gz GIHLWYDFIDBQBY-UHFFFAOYSA-N 0 0 385.446 -0.158 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)c(C)c([N+](=O)[O-])c1 ZINC000276847403 1072236694 /nfs/dbraw/zinc/23/66/94/1072236694.db2.gz ILVLQCMIYPJRHE-INIZCTEOSA-N 0 0 381.341 -0.104 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CCOC2)c(C)c([N+](=O)[O-])c1 ZINC000276847408 1072236523 /nfs/dbraw/zinc/23/65/23/1072236523.db2.gz ILVLQCMIYPJRHE-MRXNPFEDSA-N 0 0 381.341 -0.104 20 5 GBBDRN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000276848118 1072236657 /nfs/dbraw/zinc/23/66/57/1072236657.db2.gz YHCNICDQRJLHQB-JTQLQIEISA-N 0 0 387.418 -0.351 20 5 GBBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC(=O)NC(N)=O)c(C)c1[N+](=O)[O-] ZINC000276848272 1072236922 /nfs/dbraw/zinc/23/69/22/1072236922.db2.gz QWNNFDJQRXWMHE-UHFFFAOYSA-N 0 0 389.346 -0.017 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N(CCO)CCCO)c(C)c([N+](=O)[O-])c1 ZINC000276849707 1072237857 /nfs/dbraw/zinc/23/78/57/1072237857.db2.gz IUFKEARVLAOGIE-UHFFFAOYSA-N 0 0 383.357 -0.168 20 5 GBBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCNS(C)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000276873949 530132358 /nfs/dbraw/zinc/13/23/58/530132358.db2.gz RPEHHUDOVIZHED-UHFFFAOYSA-N 0 0 396.403 -0.053 20 5 GBBDRN COc1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc([N+](=O)[O-])c1C ZINC000276879235 1072239369 /nfs/dbraw/zinc/23/93/69/1072239369.db2.gz XCRYLCCETAOCBV-UHFFFAOYSA-N 0 0 386.430 -0.042 20 5 GBBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000276896277 1072241094 /nfs/dbraw/zinc/24/10/94/1072241094.db2.gz UZRZWVGWFSIHHG-JTQLQIEISA-N 0 0 388.358 -0.005 20 5 GBBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C(N)=O)C2)c(C)c1[N+](=O)[O-] ZINC000276896284 1072240901 /nfs/dbraw/zinc/24/09/01/1072240901.db2.gz UZRZWVGWFSIHHG-SNVBAGLBSA-N 0 0 388.358 -0.005 20 5 GBBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] ZINC000276902725 1072241039 /nfs/dbraw/zinc/24/10/39/1072241039.db2.gz VYVBNXYXNGHBSI-LLVKDONJSA-N 0 0 382.398 -0.457 20 5 GBBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1[N+](=O)[O-] ZINC000276902729 1072240726 /nfs/dbraw/zinc/24/07/26/1072240726.db2.gz VYVBNXYXNGHBSI-NSHDSACASA-N 0 0 382.398 -0.457 20 5 GBBDRN CNS(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000276916832 530132633 /nfs/dbraw/zinc/13/26/33/530132633.db2.gz XYXCPDTUDPHZPT-UHFFFAOYSA-N 0 0 396.403 -0.053 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000276927116 1072245362 /nfs/dbraw/zinc/24/53/62/1072245362.db2.gz SJVDMSVVNLJSPJ-JTQLQIEISA-N 0 0 378.341 -0.025 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)c(C)c([N+](=O)[O-])c1 ZINC000276927121 1072245327 /nfs/dbraw/zinc/24/53/27/1072245327.db2.gz SJVDMSVVNLJSPJ-SNVBAGLBSA-N 0 0 378.341 -0.025 20 5 GBBDRN CNC(=O)C1CN(C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000276937604 1072246028 /nfs/dbraw/zinc/24/60/28/1072246028.db2.gz ULBNXHUARSLCBN-UHFFFAOYSA-N 0 0 378.341 -0.167 20 5 GBBDRN COc1cc(OCC(=O)NCCNS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000276937687 1072245720 /nfs/dbraw/zinc/24/57/20/1072245720.db2.gz ALCBSQKQMQWZDZ-UHFFFAOYSA-N 0 0 390.418 -0.069 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)c([N+](=O)[O-])c1 ZINC000276941789 1072247119 /nfs/dbraw/zinc/24/71/19/1072247119.db2.gz UVHNYDAAZWFMMK-SECBINFHSA-N 0 0 392.324 -0.450 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c(C)c([N+](=O)[O-])c1 ZINC000276941793 1072246735 /nfs/dbraw/zinc/24/67/35/1072246735.db2.gz UVHNYDAAZWFMMK-VIFPVBQESA-N 0 0 392.324 -0.450 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276945990 1072247808 /nfs/dbraw/zinc/24/78/08/1072247808.db2.gz VIPXVQNWBKOLEJ-SECBINFHSA-N 0 0 378.341 -0.038 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276945996 1072248100 /nfs/dbraw/zinc/24/81/00/1072248100.db2.gz VIPXVQNWBKOLEJ-VIFPVBQESA-N 0 0 378.341 -0.038 20 5 GBBDRN Cc1cc(C)c(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000276956864 530132612 /nfs/dbraw/zinc/13/26/12/530132612.db2.gz FXXPVRFFXQGRLC-UHFFFAOYSA-N 0 0 378.432 -0.279 20 5 GBBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)C2COC2)CC1 ZINC000276962094 530132474 /nfs/dbraw/zinc/13/24/74/530132474.db2.gz VQFSPLMCYSPWFJ-UHFFFAOYSA-N 0 0 391.427 -0.370 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)c(C)c([N+](=O)[O-])c1 ZINC000276963737 1072249645 /nfs/dbraw/zinc/24/96/45/1072249645.db2.gz XIWGEMXDLBTIAZ-QWRGUYRKSA-N 0 0 381.341 -0.418 20 5 GBBDRN CC(C)NS(=O)(=O)NCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000276964362 530241170 /nfs/dbraw/zinc/24/11/70/530241170.db2.gz DCBFHGWGAKERGP-UHFFFAOYSA-N 0 0 381.436 -0.514 20 5 GBBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C ZINC000276970065 530132117 /nfs/dbraw/zinc/13/21/17/530132117.db2.gz DMZJBMIKYXIBJU-UHFFFAOYSA-N 0 0 396.447 -0.286 20 5 GBBDRN COc1cc(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000276973821 530209525 /nfs/dbraw/zinc/20/95/25/530209525.db2.gz DXBBVQXQBZBJKL-UHFFFAOYSA-N 0 0 396.447 -0.286 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276978156 1072252456 /nfs/dbraw/zinc/25/24/56/1072252456.db2.gz YYKSUWMRFAKDBI-JTQLQIEISA-N 0 0 393.356 -0.102 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)c([N+](=O)[O-])c1 ZINC000276978160 1072252364 /nfs/dbraw/zinc/25/23/64/1072252364.db2.gz YYKSUWMRFAKDBI-SNVBAGLBSA-N 0 0 393.356 -0.102 20 5 GBBDRN COC(=O)c1cc(NC(=O)C(=O)N2CCN(CCO)CC2)c(C)c([N+](=O)[O-])c1 ZINC000276979999 1072254444 /nfs/dbraw/zinc/25/44/44/1072254444.db2.gz ZFXMLLURAKPMPR-UHFFFAOYSA-N 0 0 394.384 -0.235 20 5 GBBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000276998256 1072261687 /nfs/dbraw/zinc/26/16/87/1072261687.db2.gz CVQUAYWEAQEHIV-JTQLQIEISA-N 0 0 385.398 -0.021 20 5 GBBDRN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000276998258 1072262225 /nfs/dbraw/zinc/26/22/25/1072262225.db2.gz CVQUAYWEAQEHIV-SNVBAGLBSA-N 0 0 385.398 -0.021 20 5 GBBDRN Cc1cc(C)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000277031418 1072263950 /nfs/dbraw/zinc/26/39/50/1072263950.db2.gz IVDVFIYXAWUAPQ-LLVKDONJSA-N 0 0 382.398 -0.457 20 5 GBBDRN 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COc1c(F)cc(S(=O)(=O)NCCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000290023087 530113576 /nfs/dbraw/zinc/11/35/76/530113576.db2.gz VGWYTPYAKIIAKV-UHFFFAOYSA-N 0 0 385.395 -0.088 20 5 GBBDRN Cn1cnc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000290075666 1072576247 /nfs/dbraw/zinc/57/62/47/1072576247.db2.gz UMYBSWUSVBGXKT-UHFFFAOYSA-N 0 0 380.386 -0.130 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cc(CO)nn1 ZINC000290219545 1073048981 /nfs/dbraw/zinc/04/89/81/1073048981.db2.gz ONNBZAARCLOPEA-UHFFFAOYSA-N 0 0 399.385 -0.166 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCO2 ZINC000290260206 1073132437 /nfs/dbraw/zinc/13/24/37/1073132437.db2.gz XMECNPNPTYOHAR-UHFFFAOYSA-N 0 0 381.370 -0.108 20 5 GBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCS(=O)(=O)N(C)C ZINC000290272493 1073142757 /nfs/dbraw/zinc/14/27/57/1073142757.db2.gz BLGALNLMQTZMQJ-UHFFFAOYSA-N 0 0 388.402 -0.060 20 5 GBBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCS(=O)(=O)N(C)C ZINC000290274978 530134910 /nfs/dbraw/zinc/13/49/10/530134910.db2.gz BQWNZWQEYUJWRW-UHFFFAOYSA-N 0 0 376.366 -0.012 20 5 GBBDRN CO[C@H]1COC[C@@H]1NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000290289610 1073156386 /nfs/dbraw/zinc/15/63/86/1073156386.db2.gz AVLHICJWOCBJJI-AAEUAGOBSA-N 0 0 388.402 -0.426 20 5 GBBDRN CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NC(CO)CO)cc1[N+](=O)[O-] ZINC000290304867 1073201338 /nfs/dbraw/zinc/20/13/38/1073201338.db2.gz ADGQEKWJRLXQTM-UHFFFAOYSA-N 0 0 390.418 -0.837 20 5 GBBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)NCCCn1cc(CO)nn1)OCCO2 ZINC000290323389 1073205360 /nfs/dbraw/zinc/20/53/60/1073205360.db2.gz ZQTWZPKHFCIILN-UHFFFAOYSA-N 0 0 399.385 -0.182 20 5 GBBDRN NC(=O)c1ccnc(NCCS(=O)(=O)N2CCSCC2)c1[N+](=O)[O-] ZINC000290542188 530141230 /nfs/dbraw/zinc/14/12/30/530141230.db2.gz ILFMGBBRXPNVHT-UHFFFAOYSA-N 0 0 375.432 -0.121 20 5 GBBDRN COC(=O)CNC(=O)c1ccc(NCCS(=O)(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000290596211 1073241600 /nfs/dbraw/zinc/24/16/00/1073241600.db2.gz BPJOZFHXXHSGFT-UHFFFAOYSA-N 0 0 388.402 -0.199 20 5 GBBDRN COc1ccc(C(=O)NCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000290602233 1073240318 /nfs/dbraw/zinc/24/03/18/1073240318.db2.gz JLZMLSCABADEKG-GXSJLCMTSA-N 0 0 385.398 -0.118 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc2n(n1)CCO2 ZINC000290602969 1073241312 /nfs/dbraw/zinc/24/13/12/1073241312.db2.gz WMONSSHGRGRJLW-UHFFFAOYSA-N 0 0 381.370 -0.108 20 5 GBBDRN Cc1cc(C(=O)NCC(=O)NCCCn2cc(CO)nn2)ccc1[N+](=O)[O-] ZINC000290713370 1073255141 /nfs/dbraw/zinc/25/51/41/1073255141.db2.gz WYXXDOBFHABBKP-UHFFFAOYSA-N 0 0 376.373 -0.077 20 5 GBBDRN CN(C)S(=O)(=O)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000291605989 530192422 /nfs/dbraw/zinc/19/24/22/530192422.db2.gz SGBVJMBZPKRKFY-UHFFFAOYSA-N 0 0 379.416 -0.381 20 5 GBBDRN CN(C)S(=O)(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000291671439 530193117 /nfs/dbraw/zinc/19/31/17/530193117.db2.gz YMROSKUNAQOINV-UHFFFAOYSA-N 0 0 379.416 -0.381 20 5 GBBDRN CC(C)S(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000291783359 530193408 /nfs/dbraw/zinc/19/34/08/530193408.db2.gz AJTTXDAZSJYDOE-UHFFFAOYSA-N 0 0 393.443 -0.188 20 5 GBBDRN COCCOCCN(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000291786909 530193232 /nfs/dbraw/zinc/19/32/32/530193232.db2.gz AUEXWSSXFLQLRX-UHFFFAOYSA-N 0 0 375.403 -0.006 20 5 GBBDRN CNS(=O)(=O)c1ccc(N(C)[C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000291791348 530193465 /nfs/dbraw/zinc/19/34/65/530193465.db2.gz IXEFCELFRBFAEK-JTQLQIEISA-N 0 0 392.459 -0.027 20 5 GBBDRN CNS(=O)(=O)c1ccc(N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000291791351 530193385 /nfs/dbraw/zinc/19/33/85/530193385.db2.gz IXEFCELFRBFAEK-SNVBAGLBSA-N 0 0 392.459 -0.027 20 5 GBBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](OC)C(=O)OC ZINC000291850417 530197993 /nfs/dbraw/zinc/19/79/93/530197993.db2.gz DJWLNOUTYVISJM-JTQLQIEISA-N 0 0 376.343 -0.152 20 5 GBBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](OC)C(=O)OC ZINC000291851895 530197695 /nfs/dbraw/zinc/19/76/95/530197695.db2.gz DJWLNOUTYVISJM-SNVBAGLBSA-N 0 0 376.343 -0.152 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](OC)C(=O)OC ZINC000291970345 530203309 /nfs/dbraw/zinc/20/33/09/530203309.db2.gz QKUOCIKTXNVRBH-JTQLQIEISA-N 0 0 376.343 -0.152 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](OC)C(=O)OC ZINC000291970347 530203383 /nfs/dbraw/zinc/20/33/83/530203383.db2.gz QKUOCIKTXNVRBH-SNVBAGLBSA-N 0 0 376.343 -0.152 20 5 GBBDRN Cc1c(C(=O)NCCS(=O)(=O)N(C)C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000291978154 530204311 /nfs/dbraw/zinc/20/43/11/530204311.db2.gz JEQXTRQWODDNJN-UHFFFAOYSA-N 0 0 394.431 -0.828 20 5 GBBDRN COC(=O)[C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000291988160 530204672 /nfs/dbraw/zinc/20/46/72/530204672.db2.gz SUFOGALJRCQUSP-LLVKDONJSA-N 0 0 376.343 -0.168 20 5 GBBDRN COC(=O)[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000291988162 530204714 /nfs/dbraw/zinc/20/47/14/530204714.db2.gz SUFOGALJRCQUSP-NSHDSACASA-N 0 0 376.343 -0.168 20 5 GBBDRN CC(C)(CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCCO ZINC000292201068 530209436 /nfs/dbraw/zinc/20/94/36/530209436.db2.gz YFKAYZCMYUDXIF-UHFFFAOYSA-N 0 0 375.403 -0.223 20 5 GBBDRN CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000292387773 530210635 /nfs/dbraw/zinc/21/06/35/530210635.db2.gz HIJLWRBJONHGGM-UHFFFAOYSA-N 0 0 378.432 -0.198 20 5 GBBDRN C[C@H]1CS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292647932 530210606 /nfs/dbraw/zinc/21/06/06/530210606.db2.gz AFRWVESKFRPOKD-JTQLQIEISA-N 0 0 391.427 -0.481 20 5 GBBDRN C[C@@H]1CS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000292647949 530260991 /nfs/dbraw/zinc/26/09/91/530260991.db2.gz AFRWVESKFRPOKD-SNVBAGLBSA-N 0 0 391.427 -0.481 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCS(N)(=O)=O ZINC000292829526 530210402 /nfs/dbraw/zinc/21/04/02/530210402.db2.gz ORGBHOQJCNGYKF-UHFFFAOYSA-N 0 0 395.415 -0.272 20 5 GBBDRN NS(=O)(=O)CCCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000292859794 530210618 /nfs/dbraw/zinc/21/06/18/530210618.db2.gz RIWLJIHZHHWRMV-UHFFFAOYSA-N 0 0 395.415 -0.287 20 5 GBBDRN C[C@@H]1CC(=O)N[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000293656872 1073970759 /nfs/dbraw/zinc/97/07/59/1073970759.db2.gz SVUNDHDWRROWHB-GWCFXTLKSA-N 0 0 384.414 -0.096 20 5 GBBDRN C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000293745848 530229914 /nfs/dbraw/zinc/22/99/14/530229914.db2.gz QZZQLBVWWBDMIY-VHSXEESVSA-N 0 0 391.427 -0.578 20 5 GBBDRN C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293758308 530233046 /nfs/dbraw/zinc/23/30/46/530233046.db2.gz LJNSFVKMZYUWJR-UWVGGRQHSA-N 0 0 391.427 -0.435 20 5 GBBDRN C[C@H]1[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCS1(=O)=O ZINC000293764428 1072575099 /nfs/dbraw/zinc/57/50/99/1072575099.db2.gz MATNFNILMVPVOS-WPRPVWTQSA-N 0 0 381.366 -0.117 20 5 GBBDRN COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000293903911 530270402 /nfs/dbraw/zinc/27/04/02/530270402.db2.gz FXQBOOJXGQPJRS-JTQLQIEISA-N 0 0 375.359 -0.823 20 5 GBBDRN COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC ZINC000293903913 530270259 /nfs/dbraw/zinc/27/02/59/530270259.db2.gz FXQBOOJXGQPJRS-SNVBAGLBSA-N 0 0 375.359 -0.823 20 5 GBBDRN COC(=O)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)OC ZINC000294227704 530272779 /nfs/dbraw/zinc/27/27/79/530272779.db2.gz ZBGUGMZZXVLTEW-LLVKDONJSA-N 0 0 375.359 -0.532 20 5 GBBDRN COC(=O)[C@H](CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)OC ZINC000294227708 530272774 /nfs/dbraw/zinc/27/27/74/530272774.db2.gz ZBGUGMZZXVLTEW-NSHDSACASA-N 0 0 375.359 -0.532 20 5 GBBDRN CN1CCC[C@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000294465630 1073196586 /nfs/dbraw/zinc/19/65/86/1073196586.db2.gz IJJWZVDQWUCMQB-CYBMUJFWSA-N 0 0 384.414 -0.142 20 5 GBBDRN CN1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000294465633 1073196206 /nfs/dbraw/zinc/19/62/06/1073196206.db2.gz IJJWZVDQWUCMQB-ZDUSSCGKSA-N 0 0 384.414 -0.142 20 5 GBBDRN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000294517896 1073195530 /nfs/dbraw/zinc/19/55/30/1073195530.db2.gz KUBRKBINLRWHSJ-UONOGXRCSA-N 0 0 376.369 -0.088 20 5 GBBDRN CN1CCC[C@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000294774472 1073209267 /nfs/dbraw/zinc/20/92/67/1073209267.db2.gz RJCIUGSBOSFDCI-CYBMUJFWSA-N 0 0 384.414 -0.142 20 5 GBBDRN CN1CCC[C@@H](C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000294774478 1073209830 /nfs/dbraw/zinc/20/98/30/1073209830.db2.gz RJCIUGSBOSFDCI-ZDUSSCGKSA-N 0 0 384.414 -0.142 20 5 GBBDRN COCC1(O)CN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 ZINC000295086240 1073605118 /nfs/dbraw/zinc/60/51/18/1073605118.db2.gz YNAMFEUXOHHHSC-UHFFFAOYSA-N 0 0 387.414 -0.187 20 5 GBBDRN CCN(CCOCCO)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000295183920 530307801 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CNS(=O)(=O)c1ccc(N2CC[C@@H](S(=O)(=O)NC)C2)c([N+](=O)[O-])c1 ZINC000372739924 530128892 /nfs/dbraw/zinc/12/88/92/530128892.db2.gz JUXHJLGFKOONEV-SNVBAGLBSA-N 0 0 378.432 -0.369 20 5 GBBDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000372828979 530128659 /nfs/dbraw/zinc/12/86/59/530128659.db2.gz CSVKEOWUGPCVQD-JTQLQIEISA-N 0 0 375.407 -0.170 20 5 GBBDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000372828982 530128979 /nfs/dbraw/zinc/12/89/79/530128979.db2.gz CSVKEOWUGPCVQD-SNVBAGLBSA-N 0 0 375.407 -0.170 20 5 GBBDRN CNS(=O)(=O)[C@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000373296686 530128910 /nfs/dbraw/zinc/12/89/10/530128910.db2.gz OPGFTJGWXBFKHL-JTQLQIEISA-N 0 0 378.432 -0.240 20 5 GBBDRN CNS(=O)(=O)[C@@H]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000373296687 530128738 /nfs/dbraw/zinc/12/87/38/530128738.db2.gz OPGFTJGWXBFKHL-SNVBAGLBSA-N 0 0 378.432 -0.240 20 5 GBBDRN O=C(NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000376166645 1072895492 /nfs/dbraw/zinc/89/54/92/1072895492.db2.gz NHEOSISRSLPIPR-VXGBXAGGSA-N 0 0 383.382 -0.388 20 5 GBBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000376270415 1072939244 /nfs/dbraw/zinc/93/92/44/1072939244.db2.gz OPTKACHGAAYGSU-UHFFFAOYSA-N 0 0 384.414 -0.171 20 5 GBBDRN O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000376663497 530130461 /nfs/dbraw/zinc/13/04/61/530130461.db2.gz AUKSGIVEQYUPBH-SECBINFHSA-N 0 0 388.789 -0.421 20 5 GBBDRN O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000376663498 530129968 /nfs/dbraw/zinc/12/99/68/530129968.db2.gz AUKSGIVEQYUPBH-VIFPVBQESA-N 0 0 388.789 -0.421 20 5 GBBDRN NC(=O)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000376696937 1073099824 /nfs/dbraw/zinc/09/98/24/1073099824.db2.gz RQJWIZDJCCTNRZ-LLVKDONJSA-N 0 0 399.429 -0.220 20 5 GBBDRN NC(=O)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000376696938 1073099987 /nfs/dbraw/zinc/09/99/87/1073099987.db2.gz RQJWIZDJCCTNRZ-NSHDSACASA-N 0 0 399.429 -0.220 20 5 GBBDRN NC(=O)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000376697007 1073100587 /nfs/dbraw/zinc/10/05/87/1073100587.db2.gz SGAACHOQFAAFKG-LLVKDONJSA-N 0 0 399.429 -0.220 20 5 GBBDRN NC(=O)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000376697008 1073100995 /nfs/dbraw/zinc/10/09/95/1073100995.db2.gz SGAACHOQFAAFKG-NSHDSACASA-N 0 0 399.429 -0.220 20 5 GBBDRN CNS(=O)(=O)c1ccc(N2CCC(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000376726045 530130486 /nfs/dbraw/zinc/13/04/86/530130486.db2.gz NHRJSTVPXTUHKH-UHFFFAOYSA-N 0 0 378.432 -0.240 20 5 GBBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000376771901 1073115656 /nfs/dbraw/zinc/11/56/56/1073115656.db2.gz ITSBKTAPHWVXMN-GWCFXTLKSA-N 0 0 384.414 -0.007 20 5 GBBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000376771902 1073115746 /nfs/dbraw/zinc/11/57/46/1073115746.db2.gz ITSBKTAPHWVXMN-GXFFZTMASA-N 0 0 384.414 -0.007 20 5 GBBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000376771903 1073115535 /nfs/dbraw/zinc/11/55/35/1073115535.db2.gz ITSBKTAPHWVXMN-MFKMUULPSA-N 0 0 384.414 -0.007 20 5 GBBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000376771904 1073115544 /nfs/dbraw/zinc/11/55/44/1073115544.db2.gz ITSBKTAPHWVXMN-ZWNOBZJWSA-N 0 0 384.414 -0.007 20 5 GBBDRN COc1ccc(NC(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000376784156 1073116055 /nfs/dbraw/zinc/11/60/55/1073116055.db2.gz FXENXXGZRWNBFJ-GHMZBOCLSA-N 0 0 391.384 -0.427 20 5 GBBDRN COc1ccc(NC(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000376784157 1073116619 /nfs/dbraw/zinc/11/66/19/1073116619.db2.gz FXENXXGZRWNBFJ-MNOVXSKESA-N 0 0 391.384 -0.427 20 5 GBBDRN COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000376784158 1073116019 /nfs/dbraw/zinc/11/60/19/1073116019.db2.gz FXENXXGZRWNBFJ-QWRGUYRKSA-N 0 0 391.384 -0.427 20 5 GBBDRN COc1ccc(NC(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000376784159 1073116104 /nfs/dbraw/zinc/11/61/04/1073116104.db2.gz FXENXXGZRWNBFJ-WDEREUQCSA-N 0 0 391.384 -0.427 20 5 GBBDRN C[C@@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000376873017 1073119788 /nfs/dbraw/zinc/11/97/88/1073119788.db2.gz WTRWUUNZCJLRJH-GVXVVHGQSA-N 0 0 387.414 -0.394 20 5 GBBDRN C[C@@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000376873018 1073120001 /nfs/dbraw/zinc/12/00/01/1073120001.db2.gz WTRWUUNZCJLRJH-LOWVWBTDSA-N 0 0 387.414 -0.394 20 5 GBBDRN C[C@H](CCO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000376873019 1073120019 /nfs/dbraw/zinc/12/00/19/1073120019.db2.gz WTRWUUNZCJLRJH-MDZLAQPJSA-N 0 0 387.414 -0.394 20 5 GBBDRN C[C@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000376873020 1073119804 /nfs/dbraw/zinc/11/98/04/1073119804.db2.gz WTRWUUNZCJLRJH-WZRBSPASSA-N 0 0 387.414 -0.394 20 5 GBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000377143545 1073137953 /nfs/dbraw/zinc/13/79/53/1073137953.db2.gz VFKGVGLVCJLWRM-GFCCVEGCSA-N 0 0 391.384 -0.425 20 5 GBBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000377143549 1073137834 /nfs/dbraw/zinc/13/78/34/1073137834.db2.gz VFKGVGLVCJLWRM-LBPRGKRZSA-N 0 0 391.384 -0.425 20 5 GBBDRN CN(CC(=O)N1CC[C@H](CC(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000377161915 1073139966 /nfs/dbraw/zinc/13/99/66/1073139966.db2.gz JLMFWPHUOPULCD-LLVKDONJSA-N 0 0 384.414 -0.061 20 5 GBBDRN CN(CC(=O)N1CC[C@@H](CC(N)=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000377161916 1073139865 /nfs/dbraw/zinc/13/98/65/1073139865.db2.gz JLMFWPHUOPULCD-NSHDSACASA-N 0 0 384.414 -0.061 20 5 GBBDRN NC(=O)C[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377347212 1073151261 /nfs/dbraw/zinc/15/12/61/1073151261.db2.gz QPLQADHMLDJBTF-LLVKDONJSA-N 0 0 399.429 -0.220 20 5 GBBDRN NC(=O)C[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000377347213 1073151085 /nfs/dbraw/zinc/15/10/85/1073151085.db2.gz QPLQADHMLDJBTF-NSHDSACASA-N 0 0 399.429 -0.220 20 5 GBBDRN COC(=O)C[C@H]1COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000377452886 1073181000 /nfs/dbraw/zinc/18/10/00/1073181000.db2.gz PYWCXJAHWSIOQA-JTQLQIEISA-N 0 0 391.336 -0.019 20 5 GBBDRN COC(=O)C[C@@H]1COCCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000377452887 1073180851 /nfs/dbraw/zinc/18/08/51/1073180851.db2.gz PYWCXJAHWSIOQA-SNVBAGLBSA-N 0 0 391.336 -0.019 20 5 GBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CC(n3cncn3)C2)c([N+](=O)[O-])c1 ZINC000377554626 1073197995 /nfs/dbraw/zinc/19/79/95/1073197995.db2.gz YCZNPSBFPAPOCP-UHFFFAOYSA-N 0 0 395.401 -0.281 20 5 GBBDRN CNS(=O)(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000377653230 530130426 /nfs/dbraw/zinc/13/04/26/530130426.db2.gz XWMUYUVGIDOELD-JTQLQIEISA-N 0 0 378.432 -0.240 20 5 GBBDRN CNS(=O)(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000377653236 530130384 /nfs/dbraw/zinc/13/03/84/530130384.db2.gz XWMUYUVGIDOELD-SNVBAGLBSA-N 0 0 378.432 -0.240 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2n(n1)CCO2 ZINC000377812418 1073217561 /nfs/dbraw/zinc/21/75/61/1073217561.db2.gz WGVLLMPHLDNPDJ-UHFFFAOYSA-N 0 0 381.370 -0.108 20 5 GBBDRN CN(C)S(=O)(=O)N1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000378073507 1073239117 /nfs/dbraw/zinc/23/91/17/1073239117.db2.gz OBFUUGCIWQUDDA-UHFFFAOYSA-N 0 0 389.438 -0.685 20 5 GBBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000378178063 1073246871 /nfs/dbraw/zinc/24/68/71/1073246871.db2.gz ZASPIUKJNMQSIF-GFCCVEGCSA-N 0 0 382.398 -0.512 20 5 GBBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000378178064 1073246853 /nfs/dbraw/zinc/24/68/53/1073246853.db2.gz ZASPIUKJNMQSIF-LBPRGKRZSA-N 0 0 382.398 -0.512 20 5 GBBDRN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000378228087 1073250422 /nfs/dbraw/zinc/25/04/22/1073250422.db2.gz NWZSVJBITVPWTA-JTQLQIEISA-N 0 0 386.386 -0.308 20 5 GBBDRN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000378228089 1073250663 /nfs/dbraw/zinc/25/06/63/1073250663.db2.gz NWZSVJBITVPWTA-SNVBAGLBSA-N 0 0 386.386 -0.308 20 5 GBBDRN COc1ccc(S(=O)(=O)N2CC(NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000378311261 1073256863 /nfs/dbraw/zinc/25/68/63/1073256863.db2.gz KDUKSAUFYLKBIN-UHFFFAOYSA-N 0 0 395.397 -0.011 20 5 GBBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378534849 1073274052 /nfs/dbraw/zinc/27/40/52/1073274052.db2.gz PPPFIITZJFDYFY-GFCCVEGCSA-N 0 0 399.429 -0.281 20 5 GBBDRN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000378534850 1073274080 /nfs/dbraw/zinc/27/40/80/1073274080.db2.gz PPPFIITZJFDYFY-LBPRGKRZSA-N 0 0 399.429 -0.281 20 5 GBBDRN COc1ccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1[N+](=O)[O-] ZINC000378536110 1073273999 /nfs/dbraw/zinc/27/39/99/1073273999.db2.gz BBALAGNCZVVARK-UHFFFAOYSA-N 0 0 382.358 -0.461 20 5 GBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CC(n3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000378538343 1073274642 /nfs/dbraw/zinc/27/46/42/1073274642.db2.gz ABVGSYNRSDEGBB-UHFFFAOYSA-N 0 0 395.401 -0.281 20 5 GBBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000378538950 1073274800 /nfs/dbraw/zinc/27/48/00/1073274800.db2.gz HXYYJNJWQIBHKB-GFCCVEGCSA-N 0 0 377.401 -0.160 20 5 GBBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000378538951 1073274329 /nfs/dbraw/zinc/27/43/29/1073274329.db2.gz HXYYJNJWQIBHKB-LBPRGKRZSA-N 0 0 377.401 -0.160 20 5 GBBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000378545128 1073274651 /nfs/dbraw/zinc/27/46/51/1073274651.db2.gz DJSGEUKMKZEIOA-UHFFFAOYSA-N 0 0 384.349 -0.022 20 5 GBBDRN COc1cc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1[N+](=O)[O-] ZINC000378548351 1073274602 /nfs/dbraw/zinc/27/46/02/1073274602.db2.gz KSODQRDLVWYBDH-UHFFFAOYSA-N 0 0 382.358 -0.461 20 5 GBBDRN NC(=O)c1cn(C2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C2)nn1 ZINC000378549665 1073274564 /nfs/dbraw/zinc/27/45/64/1073274564.db2.gz MWNOOXXBBRFQAN-UHFFFAOYSA-N 0 0 380.386 -0.286 20 5 GBBDRN Cc1cc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc([N+](=O)[O-])c1F ZINC000378553631 1073275192 /nfs/dbraw/zinc/27/51/92/1073275192.db2.gz VXPLHOUXSLQNFX-UHFFFAOYSA-N 0 0 384.349 -0.022 20 5 GBBDRN O=C(NCC1(O)CCC1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000378615577 1073280882 /nfs/dbraw/zinc/28/08/82/1073280882.db2.gz JWALRSWQDHLHIF-AAEUAGOBSA-N 0 0 399.425 -0.250 20 5 GBBDRN O=C(NCC1(O)CCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000378615578 1073281175 /nfs/dbraw/zinc/28/11/75/1073281175.db2.gz JWALRSWQDHLHIF-YPMHNXCESA-N 0 0 399.425 -0.250 20 5 GBBDRN Cc1c(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000392591296 530133552 /nfs/dbraw/zinc/13/35/52/530133552.db2.gz KKAVYDROMNNRJO-CYBMUJFWSA-N 0 0 391.427 -0.142 20 5 GBBDRN Cc1c(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000392591302 530133434 /nfs/dbraw/zinc/13/34/34/530133434.db2.gz KKAVYDROMNNRJO-ZDUSSCGKSA-N 0 0 391.427 -0.142 20 5 GBBDRN CCn1cc(S(=O)(=O)NCC2(OCCO)CCOCC2)c([N+](=O)[O-])n1 ZINC000409793020 530114768 /nfs/dbraw/zinc/11/47/68/530114768.db2.gz MTYLPGBTXXWZJA-UHFFFAOYSA-N 0 0 378.407 -0.352 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000409794011 530115163 /nfs/dbraw/zinc/11/51/63/530115163.db2.gz UDJSBIJEOBVWQP-NXEZZACHSA-N 0 0 395.463 -0.193 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000409794018 530114862 /nfs/dbraw/zinc/11/48/62/530114862.db2.gz UDJSBIJEOBVWQP-UWVGGRQHSA-N 0 0 395.463 -0.193 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000409794019 530114942 /nfs/dbraw/zinc/11/49/42/530114942.db2.gz UDJSBIJEOBVWQP-VHSXEESVSA-N 0 0 395.463 -0.193 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000409794022 530114814 /nfs/dbraw/zinc/11/48/14/530114814.db2.gz UDJSBIJEOBVWQP-ZJUUUORDSA-N 0 0 395.463 -0.193 20 5 GBBDRN C[C@@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC(=O)N1C ZINC000410672742 1072796119 /nfs/dbraw/zinc/79/61/19/1072796119.db2.gz IYHSTAVESQRKHV-LLVKDONJSA-N 0 0 378.389 -0.356 20 5 GBBDRN C[C@H]1CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC(=O)N1C ZINC000410672747 1072795734 /nfs/dbraw/zinc/79/57/34/1072795734.db2.gz IYHSTAVESQRKHV-NSHDSACASA-N 0 0 378.389 -0.356 20 5 GBBDRN CCN1CCN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1=O ZINC000410719348 1072796247 /nfs/dbraw/zinc/79/62/47/1072796247.db2.gz YPGGONJEGRDSCT-UHFFFAOYSA-N 0 0 378.389 -0.355 20 5 GBBDRN C[C@@H]1[C@@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000410742436 1072797022 /nfs/dbraw/zinc/79/70/22/1072797022.db2.gz IBDSZMORHJEMKF-CHWSQXEVSA-N 0 0 377.401 -0.132 20 5 GBBDRN C[C@@H]1[C@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000410742437 1072797239 /nfs/dbraw/zinc/79/72/39/1072797239.db2.gz IBDSZMORHJEMKF-OLZOCXBDSA-N 0 0 377.401 -0.132 20 5 GBBDRN C[C@H]1[C@@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000410742438 1072797004 /nfs/dbraw/zinc/79/70/04/1072797004.db2.gz IBDSZMORHJEMKF-QWHCGFSZSA-N 0 0 377.401 -0.132 20 5 GBBDRN C[C@H]1[C@H](CO)CCN1C(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000410742439 1072796664 /nfs/dbraw/zinc/79/66/64/1072796664.db2.gz IBDSZMORHJEMKF-STQMWFEESA-N 0 0 377.401 -0.132 20 5 GBBDRN C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](CO)O1 ZINC000410978570 1072802083 /nfs/dbraw/zinc/80/20/83/1072802083.db2.gz LNVJSWUENSSQDA-CHWSQXEVSA-N 0 0 393.400 -0.753 20 5 GBBDRN C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](CO)O1 ZINC000410978571 1072801985 /nfs/dbraw/zinc/80/19/85/1072801985.db2.gz LNVJSWUENSSQDA-OLZOCXBDSA-N 0 0 393.400 -0.753 20 5 GBBDRN C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](CO)O1 ZINC000410978572 1072802859 /nfs/dbraw/zinc/80/28/59/1072802859.db2.gz LNVJSWUENSSQDA-QWHCGFSZSA-N 0 0 393.400 -0.753 20 5 GBBDRN Cc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000411392105 1072813481 /nfs/dbraw/zinc/81/34/81/1072813481.db2.gz SPULALSWKHEJRC-UHFFFAOYSA-N 0 0 380.401 -0.005 20 5 GBBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000411419052 1072813458 /nfs/dbraw/zinc/81/34/58/1072813458.db2.gz GIGOZUPONJBOFI-GFCCVEGCSA-N 0 0 375.341 -0.087 20 5 GBBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000411427943 1072814300 /nfs/dbraw/zinc/81/43/00/1072814300.db2.gz PGPVBYRCZGSTOH-LLVKDONJSA-N 0 0 389.368 -0.681 20 5 GBBDRN 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ZINC000412324784 1073246659 /nfs/dbraw/zinc/24/66/59/1073246659.db2.gz PXMDBNBDXQTQIJ-UHFFFAOYSA-N 0 0 390.393 -0.107 20 5 GBBDRN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000412416332 1073287203 /nfs/dbraw/zinc/28/72/03/1073287203.db2.gz KYGIFQFANLUWHS-HONMWMINSA-N 0 0 387.414 -0.394 20 5 GBBDRN C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000412416337 1073286906 /nfs/dbraw/zinc/28/69/06/1073286906.db2.gz KYGIFQFANLUWHS-LERXQTSPSA-N 0 0 387.414 -0.394 20 5 GBBDRN CCC[C@@H](O)[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000412507403 1073341251 /nfs/dbraw/zinc/34/12/51/1073341251.db2.gz DNRLYCMNXBJBJG-UONOGXRCSA-N 0 0 389.430 -0.099 20 5 GBBDRN CCC[C@@H](O)[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000412507405 1073341473 /nfs/dbraw/zinc/34/14/73/1073341473.db2.gz DNRLYCMNXBJBJG-ZIAGYGMSSA-N 0 0 389.430 -0.099 20 5 GBBDRN O=[N+]([O-])c1cnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 ZINC000413038493 530214805 /nfs/dbraw/zinc/21/48/05/530214805.db2.gz DNMNPRJBSFMNDS-UHFFFAOYSA-N 0 0 375.382 -0.172 20 5 GBBDRN Cc1nc(NC[C@@]2(C)CCC(=O)N2)nc(NC[C@@]2(C)CCC(=O)N2)c1[N+](=O)[O-] ZINC000413330743 1072283920 /nfs/dbraw/zinc/28/39/20/1072283920.db2.gz AWQGQDCITGMUNV-IAGOWNOFSA-N 0 0 391.432 -0.302 20 5 GBBDRN Cc1nc(NC[C@]2(C)CCC(=O)N2)nc(NC[C@]2(C)CCC(=O)N2)c1[N+](=O)[O-] ZINC000413330746 1072284327 /nfs/dbraw/zinc/28/43/27/1072284327.db2.gz AWQGQDCITGMUNV-IRXDYDNUSA-N 0 0 391.432 -0.302 20 5 GBBDRN Cc1nc(NC[C@]2(C)CCC(=O)N2)nc(NC[C@@]2(C)CCC(=O)N2)c1[N+](=O)[O-] ZINC000413330749 1072284133 /nfs/dbraw/zinc/28/41/33/1072284133.db2.gz AWQGQDCITGMUNV-SJORKVTESA-N 0 0 391.432 -0.302 20 5 GBBDRN Cn1ccnc1C(=O)c1ccc(N2CCN(CC(N)=O)C(=O)C2)c([N+](=O)[O-])c1 ZINC000413425650 1072297107 /nfs/dbraw/zinc/29/71/07/1072297107.db2.gz SOSVHRXKMMFRMU-UHFFFAOYSA-N 0 0 386.368 -0.307 20 5 GBBDRN NC(=O)CN1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1=O ZINC000413427382 1072296949 /nfs/dbraw/zinc/29/69/49/1072296949.db2.gz ZHPBYHBBOFDPTB-UHFFFAOYSA-N 0 0 377.401 -0.439 20 5 GBBDRN C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000413443341 1072299353 /nfs/dbraw/zinc/29/93/53/1072299353.db2.gz FCTGHPJHXOATOQ-BXUZGUMPSA-N 0 0 388.446 -0.316 20 5 GBBDRN C[C@@H](O)[C@@H](CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000413459829 530221963 /nfs/dbraw/zinc/22/19/63/530221963.db2.gz YGRVQUXCCWBGPF-ZWNOBZJWSA-N 0 0 375.403 -0.231 20 5 GBBDRN COC[C@@H]1C[C@H](O)CN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000413901090 1072337698 /nfs/dbraw/zinc/33/76/98/1072337698.db2.gz ATURYNWSHLNZLO-STQMWFEESA-N 0 0 387.414 -0.177 20 5 GBBDRN COC[C@@H]1C[C@H](O)CN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000413908719 1072338112 /nfs/dbraw/zinc/33/81/12/1072338112.db2.gz RLDYFRGPYSMAAL-STQMWFEESA-N 0 0 387.414 -0.129 20 5 GBBDRN COC[C@@H]1C[C@H](O)CN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000413912005 1072338499 /nfs/dbraw/zinc/33/84/99/1072338499.db2.gz YZRIUGNKJODXBE-STQMWFEESA-N 0 0 387.414 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CCC[C@H](O)[C@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414022575 530285357 /nfs/dbraw/zinc/28/53/57/530285357.db2.gz QWCWLDMFHPEBRM-JQWIXIFHSA-N 0 0 375.403 -0.489 20 5 GBBDRN CCC[C@H](O)[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414022579 530285217 /nfs/dbraw/zinc/28/52/17/530285217.db2.gz QWCWLDMFHPEBRM-PWSUYJOCSA-N 0 0 375.403 -0.489 20 5 GBBDRN CCC[C@@H](O)[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000414022582 530285172 /nfs/dbraw/zinc/28/51/72/530285172.db2.gz QWCWLDMFHPEBRM-ZYHUDNBSSA-N 0 0 375.403 -0.489 20 5 GBBDRN C[C@@H](O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414056580 1072909627 /nfs/dbraw/zinc/90/96/27/1072909627.db2.gz QZBSLJRDFXNVPW-BXUZGUMPSA-N 0 0 387.414 -0.129 20 5 GBBDRN C[C@H](O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414056583 1072909599 /nfs/dbraw/zinc/90/95/99/1072909599.db2.gz QZBSLJRDFXNVPW-FZMZJTMJSA-N 0 0 387.414 -0.129 20 5 GBBDRN C[C@@H](O)[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414056586 1072909804 /nfs/dbraw/zinc/90/98/04/1072909804.db2.gz QZBSLJRDFXNVPW-RISCZKNCSA-N 0 0 387.414 -0.129 20 5 GBBDRN C[C@H](O)[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000414056590 1072909492 /nfs/dbraw/zinc/90/94/92/1072909492.db2.gz QZBSLJRDFXNVPW-SMDDNHRTSA-N 0 0 387.414 -0.129 20 5 GBBDRN O=C1C[C@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1CCOCCO ZINC000414107991 1072932137 /nfs/dbraw/zinc/93/21/37/1072932137.db2.gz KWZNAIHQHSERGD-AWEZNQCLSA-N 0 0 393.400 -0.752 20 5 GBBDRN O=C1C[C@@H](N2CCN(c3ncccc3[N+](=O)[O-])CC2)C(=O)N1CCOCCO ZINC000414107998 1072932267 /nfs/dbraw/zinc/93/22/67/1072932267.db2.gz KWZNAIHQHSERGD-CQSZACIVSA-N 0 0 393.400 -0.752 20 5 GBBDRN COc1ccc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)c([N+](=O)[O-])c1 ZINC000414454109 530288507 /nfs/dbraw/zinc/28/85/07/530288507.db2.gz FMAWDUPPAWRYAF-UHFFFAOYSA-N 0 0 393.443 -0.388 20 5 GBBDRN Cc1cc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] ZINC000414456854 530288585 /nfs/dbraw/zinc/28/85/85/530288585.db2.gz JVVSTPBFJHOALI-UHFFFAOYSA-N 0 0 377.444 -0.088 20 5 GBBDRN COc1cc(S(=O)(=O)NCCN2CCS(=O)(=O)CC2)ccc1[N+](=O)[O-] ZINC000414462381 530288461 /nfs/dbraw/zinc/28/84/61/530288461.db2.gz UKMJXAPEDVALJT-UHFFFAOYSA-N 0 0 393.443 -0.388 20 5 GBBDRN Cc1cc(S(=O)(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000414466881 1073049788 /nfs/dbraw/zinc/04/97/88/1073049788.db2.gz HTHBLEWGHMTNEX-UHFFFAOYSA-N 0 0 386.430 -0.370 20 5 GBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCCN1CCOCC1 ZINC000414469849 1073050427 /nfs/dbraw/zinc/05/04/27/1073050427.db2.gz NGSWRIMAJZMBFC-UHFFFAOYSA-N 0 0 386.430 -0.370 20 5 GBBDRN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000414566285 1073099895 /nfs/dbraw/zinc/09/98/95/1073099895.db2.gz DLRIEPWUKKWTTG-BBRMVZONSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000414566287 1073099962 /nfs/dbraw/zinc/09/99/62/1073099962.db2.gz DLRIEPWUKKWTTG-CJNGLKHVSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000414566289 1073100136 /nfs/dbraw/zinc/10/01/36/1073100136.db2.gz DLRIEPWUKKWTTG-CZUORRHYSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000414566291 1073100266 /nfs/dbraw/zinc/10/02/66/1073100266.db2.gz DLRIEPWUKKWTTG-XJKSGUPXSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000414584086 1073104905 /nfs/dbraw/zinc/10/49/05/1073104905.db2.gz IMRWZBSXNBQAJZ-BBRMVZONSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000414584087 1073104715 /nfs/dbraw/zinc/10/47/15/1073104715.db2.gz IMRWZBSXNBQAJZ-CJNGLKHVSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000414584088 1073104690 /nfs/dbraw/zinc/10/46/90/1073104690.db2.gz IMRWZBSXNBQAJZ-CZUORRHYSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000414584089 1073104754 /nfs/dbraw/zinc/10/47/54/1073104754.db2.gz IMRWZBSXNBQAJZ-XJKSGUPXSA-N 0 0 392.412 -0.148 20 5 GBBDRN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000414601847 1073103276 /nfs/dbraw/zinc/10/32/76/1073103276.db2.gz TYJNBETUGSSIJK-GXTWGEPZSA-N 0 0 393.400 -0.753 20 5 GBBDRN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000414601852 1073103120 /nfs/dbraw/zinc/10/31/20/1073103120.db2.gz TYJNBETUGSSIJK-JSGCOSHPSA-N 0 0 393.400 -0.753 20 5 GBBDRN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000414601854 1073103477 /nfs/dbraw/zinc/10/34/77/1073103477.db2.gz TYJNBETUGSSIJK-OCCSQVGLSA-N 0 0 393.400 -0.753 20 5 GBBDRN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000414601856 1073103453 /nfs/dbraw/zinc/10/34/53/1073103453.db2.gz TYJNBETUGSSIJK-TZMCWYRMSA-N 0 0 393.400 -0.753 20 5 GBBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000415611759 1073212473 /nfs/dbraw/zinc/21/24/73/1073212473.db2.gz XVZKDGYBTQRMLS-AWEZNQCLSA-N 0 0 375.385 -0.044 20 5 GBBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000415611760 1073212122 /nfs/dbraw/zinc/21/21/22/1073212122.db2.gz XVZKDGYBTQRMLS-CQSZACIVSA-N 0 0 375.385 -0.044 20 5 GBBDRN COC(=O)[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416206778 1073253209 /nfs/dbraw/zinc/25/32/09/1073253209.db2.gz WGSFDDCCXSQNBC-AWEZNQCLSA-N 0 0 389.386 -0.697 20 5 GBBDRN COC(=O)[C@](C)(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416206781 1073252981 /nfs/dbraw/zinc/25/29/81/1073252981.db2.gz WGSFDDCCXSQNBC-CQSZACIVSA-N 0 0 389.386 -0.697 20 5 GBBDRN C[C@@]1(O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416281025 1073258303 /nfs/dbraw/zinc/25/83/03/1073258303.db2.gz DCNAJWWLIFOFON-BQNAKDMGSA-N 0 0 399.425 -0.252 20 5 GBBDRN C[C@@]1(O)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000416281026 1073258447 /nfs/dbraw/zinc/25/84/47/1073258447.db2.gz DCNAJWWLIFOFON-XALPAYFRSA-N 0 0 399.425 -0.252 20 5 GBBDRN COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416316723 1073260747 /nfs/dbraw/zinc/26/07/47/1073260747.db2.gz BWCIOZZSGKWXRM-CYBMUJFWSA-N 0 0 392.368 -0.395 20 5 GBBDRN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000416316724 1073260579 /nfs/dbraw/zinc/26/05/79/1073260579.db2.gz BWCIOZZSGKWXRM-ZDUSSCGKSA-N 0 0 392.368 -0.395 20 5 GBBDRN CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416373947 530270660 /nfs/dbraw/zinc/27/06/60/530270660.db2.gz QQYZSDJGKSVSBE-UHFFFAOYSA-N 0 0 395.415 -0.401 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000416373969 530354450 /nfs/dbraw/zinc/35/44/50/530354450.db2.gz MVWFTGPVVZUJFN-UHFFFAOYSA-N 0 0 381.388 -0.791 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NCCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000416375415 530353999 /nfs/dbraw/zinc/35/39/99/530353999.db2.gz UBPXEVLSNYUPBP-UHFFFAOYSA-N 0 0 395.415 -0.401 20 5 GBBDRN CCn1cc(S(=O)(=O)N2CCN(CCC(=O)OC)CC2)c([N+](=O)[O-])n1 ZINC000416376096 530353857 /nfs/dbraw/zinc/35/38/57/530353857.db2.gz XQABQDACEUAFPU-UHFFFAOYSA-N 0 0 375.407 -0.319 20 5 GBBDRN COCCNC(=O)CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416379360 530354341 /nfs/dbraw/zinc/35/43/41/530354341.db2.gz WQZSBSJINORMEK-UHFFFAOYSA-N 0 0 375.359 -0.578 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000416384150 1073266426 /nfs/dbraw/zinc/26/64/26/1073266426.db2.gz INXBSKBCLIKLNS-GFCCVEGCSA-N 0 0 388.354 -0.056 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)OC)C2)cc1[N+](=O)[O-] ZINC000416384163 1073266684 /nfs/dbraw/zinc/26/66/84/1073266684.db2.gz INXBSKBCLIKLNS-LBPRGKRZSA-N 0 0 388.354 -0.056 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000416388489 1073266796 /nfs/dbraw/zinc/26/67/96/1073266796.db2.gz LGUQKAARFPVKMF-LLVKDONJSA-N 0 0 386.430 -0.095 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000416388490 1073266726 /nfs/dbraw/zinc/26/67/26/1073266726.db2.gz LGUQKAARFPVKMF-NSHDSACASA-N 0 0 386.430 -0.095 20 5 GBBDRN Cc1cc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c(C)cc1[N+](=O)[O-] ZINC000416390650 530354335 /nfs/dbraw/zinc/35/43/35/530354335.db2.gz OWUUBBFUZOZVFB-UHFFFAOYSA-N 0 0 378.432 -0.279 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NCCN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000416390970 1073266485 /nfs/dbraw/zinc/26/64/85/1073266485.db2.gz POMJIHLRVYCRLT-UHFFFAOYSA-N 0 0 385.354 -0.191 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000416416332 1073269083 /nfs/dbraw/zinc/26/90/83/1073269083.db2.gz LOWVBKMHSOVWDQ-GFCCVEGCSA-N 0 0 388.354 -0.056 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)OC)cc1[N+](=O)[O-] ZINC000416416509 1073268802 /nfs/dbraw/zinc/26/88/02/1073268802.db2.gz LOWVBKMHSOVWDQ-LBPRGKRZSA-N 0 0 388.354 -0.056 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)N[C@@]2(C(=O)OC)CCOC2)cc1[N+](=O)[O-] ZINC000416422687 1073268890 /nfs/dbraw/zinc/26/88/90/1073268890.db2.gz NWAJDXUANFQORP-AWEZNQCLSA-N 0 0 388.354 -0.008 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)N[C@]2(C(=O)OC)CCOC2)cc1[N+](=O)[O-] ZINC000416422688 1073268901 /nfs/dbraw/zinc/26/89/01/1073268901.db2.gz NWAJDXUANFQORP-CQSZACIVSA-N 0 0 388.354 -0.008 20 5 GBBDRN Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000416425112 1073269039 /nfs/dbraw/zinc/26/90/39/1073269039.db2.gz CDIQJVODWNJDFB-LLVKDONJSA-N 0 0 382.398 -0.457 20 5 GBBDRN Cc1cc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000416425113 1073268906 /nfs/dbraw/zinc/26/89/06/1073268906.db2.gz CDIQJVODWNJDFB-NSHDSACASA-N 0 0 382.398 -0.457 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000416429598 1073269646 /nfs/dbraw/zinc/26/96/46/1073269646.db2.gz WGAWKANUMIBMQM-PELKAZGASA-N 0 0 387.370 -0.307 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000416429602 1073269840 /nfs/dbraw/zinc/26/98/40/1073269840.db2.gz WGAWKANUMIBMQM-PRHODGIISA-N 0 0 387.370 -0.307 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000416429603 1073269862 /nfs/dbraw/zinc/26/98/62/1073269862.db2.gz WGAWKANUMIBMQM-QPUJVOFHSA-N 0 0 387.370 -0.307 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1[N+](=O)[O-] ZINC000416429604 1073269771 /nfs/dbraw/zinc/26/97/71/1073269771.db2.gz WGAWKANUMIBMQM-UFBFGSQYSA-N 0 0 387.370 -0.307 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1[N+](=O)[O-] ZINC000416441312 1073269852 /nfs/dbraw/zinc/26/98/52/1073269852.db2.gz UYRNBFDZHRUEJD-LLVKDONJSA-N 0 0 384.414 -0.341 20 5 GBBDRN COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1[N+](=O)[O-] ZINC000416441315 1073270404 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VHBRLJGRTBXIQH-CYBMUJFWSA-N 0 0 395.416 -0.047 20 5 GBBDRN CC1(C)CN(C(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C[C@@H](CO)O1 ZINC000422124403 1072351129 /nfs/dbraw/zinc/35/11/29/1072351129.db2.gz VHBRLJGRTBXIQH-ZDUSSCGKSA-N 0 0 395.416 -0.047 20 5 GBBDRN CN(C)C(=O)CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422132289 1072357863 /nfs/dbraw/zinc/35/78/63/1072357863.db2.gz CPPBXJBTPRJMLL-UHFFFAOYSA-N 0 0 387.418 -0.397 20 5 GBBDRN CC(=O)NCCNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422138517 1072355830 /nfs/dbraw/zinc/35/58/30/1072355830.db2.gz QYIWUUAKDASOGN-UHFFFAOYSA-N 0 0 387.418 -0.349 20 5 GBBDRN CC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000422151322 1072357136 /nfs/dbraw/zinc/35/71/36/1072357136.db2.gz CPKPTJPPVIKRAE-GFCCVEGCSA-N 0 0 399.429 -0.207 20 5 GBBDRN CC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000422151323 1072357040 /nfs/dbraw/zinc/35/70/40/1072357040.db2.gz CPKPTJPPVIKRAE-LBPRGKRZSA-N 0 0 399.429 -0.207 20 5 GBBDRN CC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000422158929 1072358615 /nfs/dbraw/zinc/35/86/15/1072358615.db2.gz NJHUUWWEAFVKGD-GFCCVEGCSA-N 0 0 399.429 -0.207 20 5 GBBDRN CC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000422158930 1072358512 /nfs/dbraw/zinc/35/85/12/1072358512.db2.gz NJHUUWWEAFVKGD-LBPRGKRZSA-N 0 0 399.429 -0.207 20 5 GBBDRN CNC(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000422160691 1072358756 /nfs/dbraw/zinc/35/87/56/1072358756.db2.gz PQQGVMGXDJASBK-LLVKDONJSA-N 0 0 399.429 -0.349 20 5 GBBDRN CNC(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000422160695 1072358969 /nfs/dbraw/zinc/35/89/69/1072358969.db2.gz PQQGVMGXDJASBK-NSHDSACASA-N 0 0 399.429 -0.349 20 5 GBBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCCn1cncn1 ZINC000422161259 1072358812 /nfs/dbraw/zinc/35/88/12/1072358812.db2.gz UGFGLJDPXVKWOY-UHFFFAOYSA-N 0 0 397.417 -0.194 20 5 GBBDRN CNC(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000422164190 1072357751 /nfs/dbraw/zinc/35/77/51/1072357751.db2.gz UZMUKLQYHPMJRX-LLVKDONJSA-N 0 0 399.429 -0.349 20 5 GBBDRN CNC(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000422164192 1072357992 /nfs/dbraw/zinc/35/79/92/1072357992.db2.gz UZMUKLQYHPMJRX-NSHDSACASA-N 0 0 399.429 -0.349 20 5 GBBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000422170769 1072357755 /nfs/dbraw/zinc/35/77/55/1072357755.db2.gz FSOKEIRBYGIGBW-LLVKDONJSA-N 0 0 399.429 -0.255 20 5 GBBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000422170770 1072357819 /nfs/dbraw/zinc/35/78/19/1072357819.db2.gz FSOKEIRBYGIGBW-NSHDSACASA-N 0 0 399.429 -0.255 20 5 GBBDRN CNC(=O)[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422223060 1072433205 /nfs/dbraw/zinc/43/32/05/1072433205.db2.gz BKKWUEIQARZLED-LLVKDONJSA-N 0 0 399.429 -0.349 20 5 GBBDRN CNC(=O)[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422223061 1072432899 /nfs/dbraw/zinc/43/28/99/1072432899.db2.gz BKKWUEIQARZLED-NSHDSACASA-N 0 0 399.429 -0.349 20 5 GBBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)C1=O ZINC000422227106 1072432035 /nfs/dbraw/zinc/43/20/35/1072432035.db2.gz JBXRUGFBHKZWNN-CYBMUJFWSA-N 0 0 399.429 -0.255 20 5 GBBDRN CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)C1=O ZINC000422227107 1072433119 /nfs/dbraw/zinc/43/31/19/1072433119.db2.gz JBXRUGFBHKZWNN-ZDUSSCGKSA-N 0 0 399.429 -0.255 20 5 GBBDRN CC(=O)N[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422238029 1072433222 /nfs/dbraw/zinc/43/32/22/1072433222.db2.gz QVKYUQPPDVGLTL-GFCCVEGCSA-N 0 0 399.429 -0.207 20 5 GBBDRN CC(=O)N[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000422238030 1072433304 /nfs/dbraw/zinc/43/33/04/1072433304.db2.gz QVKYUQPPDVGLTL-LBPRGKRZSA-N 0 0 399.429 -0.207 20 5 GBBDRN Cc1nccn1CCNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422283656 1072435192 /nfs/dbraw/zinc/43/51/92/1072435192.db2.gz NKPCCGZEKKUFCG-UHFFFAOYSA-N 0 0 387.400 -0.040 20 5 GBBDRN CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000422332337 1072440914 /nfs/dbraw/zinc/44/09/14/1072440914.db2.gz MWDGPLZPUYWRPY-GFCCVEGCSA-N 0 0 390.400 -0.625 20 5 GBBDRN CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1=O ZINC000422332338 1072440888 /nfs/dbraw/zinc/44/08/88/1072440888.db2.gz MWDGPLZPUYWRPY-LBPRGKRZSA-N 0 0 390.400 -0.625 20 5 GBBDRN CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000422401436 1072445395 /nfs/dbraw/zinc/44/53/95/1072445395.db2.gz FWFJLOGQRKCGQX-UHFFFAOYSA-N 0 0 378.389 -0.767 20 5 GBBDRN Cn1c(CO)cnc1S(=O)(=O)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000424205684 1072586714 /nfs/dbraw/zinc/58/67/14/1072586714.db2.gz MMDAOUCPXJGDIR-UHFFFAOYSA-N 0 0 398.353 -0.038 20 5 GBBDRN CS(=O)(=O)CCCCNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000424917980 530128798 /nfs/dbraw/zinc/12/87/98/530128798.db2.gz ASDVYAVTANGTOP-UHFFFAOYSA-N 0 0 393.443 -0.186 20 5 GBBDRN CN1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000424962013 1072613911 /nfs/dbraw/zinc/61/39/11/1072613911.db2.gz VPPCGELUZPSBBD-LLVKDONJSA-N 0 0 384.414 -0.142 20 5 GBBDRN CN1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1=O ZINC000424962014 1072613814 /nfs/dbraw/zinc/61/38/14/1072613814.db2.gz VPPCGELUZPSBBD-NSHDSACASA-N 0 0 384.414 -0.142 20 5 GBBDRN NS(=O)(=O)c1ccc(NCCC(=O)N2CC(O)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000425009777 1072614989 /nfs/dbraw/zinc/61/49/89/1072614989.db2.gz LOEMBJVJTRIEOU-UHFFFAOYSA-N 0 0 394.356 -0.117 20 5 GBBDRN O=C(N[C@@H]1CC[C@H]1O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000425064234 1072616298 /nfs/dbraw/zinc/61/62/98/1072616298.db2.gz ZGEDOIOCJCDZOR-JULQROHOSA-N 0 0 385.398 -0.642 20 5 GBBDRN O=C(N[C@@H]1CC[C@H]1O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000425064236 1072616285 /nfs/dbraw/zinc/61/62/85/1072616285.db2.gz ZGEDOIOCJCDZOR-VCDKRKBESA-N 0 0 385.398 -0.642 20 5 GBBDRN CN1C(=O)CC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000425072167 1072620255 /nfs/dbraw/zinc/62/02/55/1072620255.db2.gz LICPLSUMXATEAS-SECBINFHSA-N 0 0 384.370 -0.863 20 5 GBBDRN CN1C(=O)CC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O ZINC000425072169 1072620164 /nfs/dbraw/zinc/62/01/64/1072620164.db2.gz LICPLSUMXATEAS-VIFPVBQESA-N 0 0 384.370 -0.863 20 5 GBBDRN COc1ccc(C(=O)NCC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000425074689 1072620786 /nfs/dbraw/zinc/62/07/86/1072620786.db2.gz ZPVHLXGXVQVGRI-JTQLQIEISA-N 0 0 378.341 -0.403 20 5 GBBDRN COc1ccc(C(=O)NCC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000425074690 1072620825 /nfs/dbraw/zinc/62/08/25/1072620825.db2.gz ZPVHLXGXVQVGRI-SNVBAGLBSA-N 0 0 378.341 -0.403 20 5 GBBDRN CN1C(=O)CC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O ZINC000425080431 1072623429 /nfs/dbraw/zinc/62/34/29/1072623429.db2.gz DURLTVJGQWRRNC-JTQLQIEISA-N 0 0 376.325 -0.416 20 5 GBBDRN CN1C(=O)CC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O ZINC000425080434 1072623368 /nfs/dbraw/zinc/62/33/68/1072623368.db2.gz DURLTVJGQWRRNC-SNVBAGLBSA-N 0 0 376.325 -0.416 20 5 GBBDRN CN1C(=O)CC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000425081366 1072622408 /nfs/dbraw/zinc/62/24/08/1072622408.db2.gz GECDLELPNCXMPU-GFCCVEGCSA-N 0 0 377.357 -0.342 20 5 GBBDRN CN1C(=O)CC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000425081368 1072621892 /nfs/dbraw/zinc/62/18/92/1072621892.db2.gz GECDLELPNCXMPU-LBPRGKRZSA-N 0 0 377.357 -0.342 20 5 GBBDRN CN1C(=O)CC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000425083253 1072623227 /nfs/dbraw/zinc/62/32/27/1072623227.db2.gz IFPVYCLOIPCMHD-GFCCVEGCSA-N 0 0 398.397 -0.473 20 5 GBBDRN CN1C(=O)CC[C@H](NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000425083254 1072623285 /nfs/dbraw/zinc/62/32/85/1072623285.db2.gz IFPVYCLOIPCMHD-LBPRGKRZSA-N 0 0 398.397 -0.473 20 5 GBBDRN CN1C(=O)CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000425087857 1072627674 /nfs/dbraw/zinc/62/76/74/1072627674.db2.gz LPRHUZPXEBIBCP-GFCCVEGCSA-N 0 0 398.397 -0.473 20 5 GBBDRN CN1C(=O)CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000425087858 1072628548 /nfs/dbraw/zinc/62/85/48/1072628548.db2.gz LPRHUZPXEBIBCP-LBPRGKRZSA-N 0 0 398.397 -0.473 20 5 GBBDRN CN(CC(=O)N[C@@H]1CCC(=O)N(C)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425092223 1072629691 /nfs/dbraw/zinc/62/96/91/1072629691.db2.gz QOCFOFXQSLKCMP-GFCCVEGCSA-N 0 0 398.397 -0.521 20 5 GBBDRN CN(CC(=O)N[C@H]1CCC(=O)N(C)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000425092224 1072629595 /nfs/dbraw/zinc/62/95/95/1072629595.db2.gz QOCFOFXQSLKCMP-LBPRGKRZSA-N 0 0 398.397 -0.521 20 5 GBBDRN Cc1c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000425094459 1072630237 /nfs/dbraw/zinc/63/02/37/1072630237.db2.gz UMFHTOMMYKWCDV-JTQLQIEISA-N 0 0 384.370 -0.572 20 5 GBBDRN 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O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000431591844 1072599377 /nfs/dbraw/zinc/59/93/77/1072599377.db2.gz ILSOZFHTOFGTNQ-GFCCVEGCSA-N 0 0 397.413 -0.501 20 5 GBBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000431591845 1072599121 /nfs/dbraw/zinc/59/91/21/1072599121.db2.gz ILSOZFHTOFGTNQ-LBPRGKRZSA-N 0 0 397.413 -0.501 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000431592204 1072600137 /nfs/dbraw/zinc/60/01/37/1072600137.db2.gz LZZCSDMSHDWHBC-GFCCVEGCSA-N 0 0 397.413 -0.501 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000431592205 1072600196 /nfs/dbraw/zinc/60/01/96/1072600196.db2.gz LZZCSDMSHDWHBC-LBPRGKRZSA-N 0 0 397.413 -0.501 20 5 GBBDRN O=C(NCC(=O)N1CCN2C(=O)NC[C@@H]2C1)NCc1ccc([N+](=O)[O-])cc1 ZINC000431602521 1072603059 /nfs/dbraw/zinc/60/30/59/1072603059.db2.gz GUQWGKBKRKBJLA-CYBMUJFWSA-N 0 0 376.373 -0.370 20 5 GBBDRN 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530086012 /nfs/dbraw/zinc/08/60/12/530086012.db2.gz IUSXRQAHRZMLAL-UHFFFAOYSA-N 0 0 375.407 -0.698 20 5 GBBDRN CC(=O)N1CCN(c2ccc(C(=O)NCC(=O)NCCO)cc2[N+](=O)[O-])CC1 ZINC000432732888 1073716559 /nfs/dbraw/zinc/71/65/59/1073716559.db2.gz ZVHSGLAZQLKWGS-UHFFFAOYSA-N 0 0 393.400 -0.898 20 5 GBBDRN Cc1nc(NC[C@@H]2CCCC(=O)N2)nc(NC[C@H]2CCCC(=O)N2)c1[N+](=O)[O-] ZINC000432926323 1073845345 /nfs/dbraw/zinc/84/53/45/1073845345.db2.gz FJMVPUNBXGJIRZ-NEPJUHHUSA-N 0 0 391.432 -0.302 20 5 GBBDRN Cc1nc(NC[C@H]2CCCC(=O)N2)nc(NC[C@@H]2CCCC(=O)N2)c1[N+](=O)[O-] ZINC000432926324 1073845006 /nfs/dbraw/zinc/84/50/06/1073845006.db2.gz FJMVPUNBXGJIRZ-NWDGAFQWSA-N 0 0 391.432 -0.302 20 5 GBBDRN Cc1nc(NC[C@@H]2CCCC(=O)N2)nc(NC[C@@H]2CCCC(=O)N2)c1[N+](=O)[O-] ZINC000432926325 1073845580 /nfs/dbraw/zinc/84/55/80/1073845580.db2.gz FJMVPUNBXGJIRZ-RYUDHWBXSA-N 0 0 391.432 -0.302 20 5 GBBDRN Cc1nc(NC[C@H]2CCCC(=O)N2)nc(NC[C@H]2CCCC(=O)N2)c1[N+](=O)[O-] ZINC000432926326 1073845480 /nfs/dbraw/zinc/84/54/80/1073845480.db2.gz FJMVPUNBXGJIRZ-VXGBXAGGSA-N 0 0 391.432 -0.302 20 5 GBBDRN Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000432960440 1073857051 /nfs/dbraw/zinc/85/70/51/1073857051.db2.gz OLFZHKONRLUODM-UHFFFAOYSA-N 0 0 383.390 -0.493 20 5 GBBDRN CN(CC(=O)NCc1nccc(N)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000433048025 1073869634 /nfs/dbraw/zinc/86/96/34/1073869634.db2.gz YSDPAHHLFPLNAD-UHFFFAOYSA-N 0 0 380.386 -0.096 20 5 GBBDRN CCOC[C@H](O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000433351000 530087916 /nfs/dbraw/zinc/08/79/16/530087916.db2.gz HBBAOTMVMNNKPL-GFCCVEGCSA-N 0 0 375.403 -0.271 20 5 GBBDRN CCOC[C@@H](O)CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000433351004 530087963 /nfs/dbraw/zinc/08/79/63/530087963.db2.gz HBBAOTMVMNNKPL-LBPRGKRZSA-N 0 0 375.403 -0.271 20 5 GBBDRN CCOC[C@H](O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000433364974 530088347 /nfs/dbraw/zinc/08/83/47/530088347.db2.gz OTVIFIOBPUGJJA-GFCCVEGCSA-N 0 0 375.403 -0.223 20 5 GBBDRN CCOC[C@@H](O)CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000433364975 530088177 /nfs/dbraw/zinc/08/81/77/530088177.db2.gz OTVIFIOBPUGJJA-LBPRGKRZSA-N 0 0 375.403 -0.223 20 5 GBBDRN CNC(=O)c1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000433423323 1073912394 /nfs/dbraw/zinc/91/23/94/1073912394.db2.gz IUEABBLERYBINA-LLVKDONJSA-N 0 0 384.414 -0.306 20 5 GBBDRN CNC(=O)c1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000433423327 1073912420 /nfs/dbraw/zinc/91/24/20/1073912420.db2.gz IUEABBLERYBINA-NSHDSACASA-N 0 0 384.414 -0.306 20 5 GBBDRN Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000433807160 1073967706 /nfs/dbraw/zinc/96/77/06/1073967706.db2.gz DBXADXGSPAAHHT-GFCCVEGCSA-N 0 0 398.379 -0.294 20 5 GBBDRN Cn1ccnc1C(=O)c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000433807161 1073967698 /nfs/dbraw/zinc/96/76/98/1073967698.db2.gz DBXADXGSPAAHHT-LBPRGKRZSA-N 0 0 398.379 -0.294 20 5 GBBDRN CC(C)c1n[nH]c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000433945253 1073978047 /nfs/dbraw/zinc/97/80/47/1073978047.db2.gz DQHZLFNWYXXJCU-SECBINFHSA-N 0 0 387.418 -0.183 20 5 GBBDRN CC(C)c1n[nH]c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000433945254 1073978095 /nfs/dbraw/zinc/97/80/95/1073978095.db2.gz DQHZLFNWYXXJCU-VIFPVBQESA-N 0 0 387.418 -0.183 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC(=O)N1 ZINC000434084520 1073982705 /nfs/dbraw/zinc/98/27/05/1073982705.db2.gz JMKUHKVYSWYDAN-LLVKDONJSA-N 0 0 399.429 -0.159 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC(=O)N1 ZINC000434084521 1073982229 /nfs/dbraw/zinc/98/22/29/1073982229.db2.gz JMKUHKVYSWYDAN-NSHDSACASA-N 0 0 399.429 -0.159 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC(=O)N1 ZINC000434099079 1072156309 /nfs/dbraw/zinc/15/63/09/1072156309.db2.gz WDVBKEVQQLZMNO-LLVKDONJSA-N 0 0 399.429 -0.159 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC(=O)N1 ZINC000434099080 1072156042 /nfs/dbraw/zinc/15/60/42/1072156042.db2.gz WDVBKEVQQLZMNO-NSHDSACASA-N 0 0 399.429 -0.159 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H]1CCCC(=O)N1 ZINC000434143346 1072317068 /nfs/dbraw/zinc/31/70/68/1072317068.db2.gz SKBXVFSESFNCJM-LLVKDONJSA-N 0 0 399.429 -0.159 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC(=O)N1 ZINC000434143347 1072317661 /nfs/dbraw/zinc/31/76/61/1072317661.db2.gz SKBXVFSESFNCJM-NSHDSACASA-N 0 0 399.429 -0.159 20 5 GBBDRN CN(CC(N)=O)C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000434219832 1072526973 /nfs/dbraw/zinc/52/69/73/1072526973.db2.gz YDLJRIVYVIPYRQ-LLVKDONJSA-N 0 0 386.430 -0.379 20 5 GBBDRN CN(CC(N)=O)C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000434219833 1072527062 /nfs/dbraw/zinc/52/70/62/1072527062.db2.gz YDLJRIVYVIPYRQ-NSHDSACASA-N 0 0 386.430 -0.379 20 5 GBBDRN CC(C)N1C(=O)C[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O ZINC000434384845 1072622328 /nfs/dbraw/zinc/62/23/28/1072622328.db2.gz FKCREXWHQALPNM-LLVKDONJSA-N 0 0 390.352 -0.028 20 5 GBBDRN CC(C)N1C(=O)C[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1=O ZINC000434384847 1072621977 /nfs/dbraw/zinc/62/19/77/1072621977.db2.gz FKCREXWHQALPNM-NSHDSACASA-N 0 0 390.352 -0.028 20 5 GBBDRN CCOC[C@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434443185 530103389 /nfs/dbraw/zinc/10/33/89/530103389.db2.gz VKYAFYUUYRATLW-GFCCVEGCSA-N 0 0 375.403 -0.223 20 5 GBBDRN CCOC[C@@H](O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434443186 530103355 /nfs/dbraw/zinc/10/33/55/530103355.db2.gz VKYAFYUUYRATLW-LBPRGKRZSA-N 0 0 375.403 -0.223 20 5 GBBDRN CN(C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCO1)c1nccn(C)c1=O ZINC000434752335 1072643289 /nfs/dbraw/zinc/64/32/89/1072643289.db2.gz MHSWCFFCAKZFLA-GFCCVEGCSA-N 0 0 377.405 -0.241 20 5 GBBDRN CN(C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CCO1)c1nccn(C)c1=O ZINC000434752336 1072643450 /nfs/dbraw/zinc/64/34/50/1072643450.db2.gz MHSWCFFCAKZFLA-LBPRGKRZSA-N 0 0 377.405 -0.241 20 5 GBBDRN CCOC(=O)CNC(=O)C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000434951935 1072655168 /nfs/dbraw/zinc/65/51/68/1072655168.db2.gz UMJROGXHWLUFOB-UHFFFAOYSA-N 0 0 379.373 -0.016 20 5 GBBDRN CCOC(=O)CNC(=O)C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000435179565 1072671677 /nfs/dbraw/zinc/67/16/77/1072671677.db2.gz ZVRUCDWUJYHGSO-UHFFFAOYSA-N 0 0 396.404 -0.108 20 5 GBBDRN Cn1c(=O)[nH]cc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O ZINC000435213640 1072673129 /nfs/dbraw/zinc/67/31/29/1072673129.db2.gz BJCXUYNQGPUSKM-UHFFFAOYSA-N 0 0 397.369 -0.898 20 5 GBBDRN Cn1c(=O)[nH]cc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000435222202 1072677670 /nfs/dbraw/zinc/67/76/70/1072677670.db2.gz ICZHZWJXAHONFS-UHFFFAOYSA-N 0 0 397.369 -0.898 20 5 GBBDRN CNS(=O)(=O)CC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000435224438 530104340 /nfs/dbraw/zinc/10/43/40/530104340.db2.gz CGOXGHZIFVCVON-UHFFFAOYSA-N 0 0 394.431 -0.924 20 5 GBBDRN Cn1c(=O)[nH]cc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1=O ZINC000435365734 1072692095 /nfs/dbraw/zinc/69/20/95/1072692095.db2.gz IWTJAFHPSUNABD-UHFFFAOYSA-N 0 0 397.369 -0.898 20 5 GBBDRN Cc1cc(OCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1[N+](=O)[O-] ZINC000435613932 1072704294 /nfs/dbraw/zinc/70/42/94/1072704294.db2.gz CLBOXZDLYPBQKL-UHFFFAOYSA-N 0 0 389.372 -0.360 20 5 GBBDRN Cc1cc(OCC(=O)NCC(=O)NCCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000435678189 1072708171 /nfs/dbraw/zinc/70/81/71/1072708171.db2.gz MXHIADYDIYJDKJ-UHFFFAOYSA-N 0 0 380.401 -0.153 20 5 GBBDRN C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000435693727 1072710027 /nfs/dbraw/zinc/71/00/27/1072710027.db2.gz VFHKXXHNCVFBDH-UONOGXRCSA-N 0 0 394.384 -0.697 20 5 GBBDRN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000435693728 1072710076 /nfs/dbraw/zinc/71/00/76/1072710076.db2.gz VFHKXXHNCVFBDH-ZIAGYGMSSA-N 0 0 394.384 -0.697 20 5 GBBDRN C[N@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1O ZINC000435696779 1072711076 /nfs/dbraw/zinc/71/10/76/1072711076.db2.gz LJOSAFZZAJFKEU-UONOGXRCSA-N 0 0 390.356 -0.623 20 5 GBBDRN C[N@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C[C@H]1O ZINC000435696780 1072711542 /nfs/dbraw/zinc/71/15/42/1072711542.db2.gz LJOSAFZZAJFKEU-ZIAGYGMSSA-N 0 0 390.356 -0.623 20 5 GBBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435698561 1072711008 /nfs/dbraw/zinc/71/10/08/1072711008.db2.gz RTGSIYZKFAOIMB-DDTOSNHZSA-N 0 0 394.384 -0.699 20 5 GBBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435698562 1072711518 /nfs/dbraw/zinc/71/15/18/1072711518.db2.gz RTGSIYZKFAOIMB-LERXQTSPSA-N 0 0 394.384 -0.699 20 5 GBBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435698563 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ZINC000439830972 1072971973 /nfs/dbraw/zinc/97/19/73/1072971973.db2.gz AZCFIINTVHPIQB-UHFFFAOYSA-N 0 0 380.357 -0.405 20 5 GBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000439843177 1072973359 /nfs/dbraw/zinc/97/33/59/1072973359.db2.gz JFDLPSDIMKTGLO-JTQLQIEISA-N 0 0 386.386 -0.179 20 5 GBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000439843179 1072973566 /nfs/dbraw/zinc/97/35/66/1072973566.db2.gz JFDLPSDIMKTGLO-SNVBAGLBSA-N 0 0 386.386 -0.179 20 5 GBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000440031201 1072983665 /nfs/dbraw/zinc/98/36/65/1072983665.db2.gz UKFLPOSZWPJLDZ-LLVKDONJSA-N 0 0 391.340 -0.305 20 5 GBBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000440031202 1072983861 /nfs/dbraw/zinc/98/38/61/1072983861.db2.gz UKFLPOSZWPJLDZ-NSHDSACASA-N 0 0 391.340 -0.305 20 5 GBBDRN CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440082618 530299986 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C[C@@H]1CCNC(=O)[C@H]1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000443052682 1073279118 /nfs/dbraw/zinc/27/91/18/1073279118.db2.gz TXSOMJSJDJWRBD-YGRLFVJLSA-N 0 0 384.414 -0.096 20 5 GBBDRN COc1ccc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000443244439 1073285704 /nfs/dbraw/zinc/28/57/04/1073285704.db2.gz OXEVUVAYIRAXSA-HNNXBMFYSA-N 0 0 389.430 -0.035 20 5 GBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000443245409 1073285577 /nfs/dbraw/zinc/28/55/77/1073285577.db2.gz GENMPQNUDRHPNM-OAHLLOKOSA-N 0 0 389.430 -0.035 20 5 GBBDRN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000443461742 530452980 /nfs/dbraw/zinc/45/29/80/530452980.db2.gz DYVDHTVUKJMOGN-UHFFFAOYSA-N 0 0 378.432 -0.494 20 5 GBBDRN CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443471637 530453077 /nfs/dbraw/zinc/45/30/77/530453077.db2.gz ZBKXWDYOAOJFGQ-UHFFFAOYSA-N 0 0 392.459 -0.151 20 5 GBBDRN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000443472770 530453085 /nfs/dbraw/zinc/45/30/85/530453085.db2.gz JCHGRGRZHAPPKG-UHFFFAOYSA-N 0 0 378.432 -0.494 20 5 GBBDRN NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000443476463 530453547 /nfs/dbraw/zinc/45/35/47/530453547.db2.gz OLFIYVHVLQHHJT-UHFFFAOYSA-N 0 0 384.461 -0.749 20 5 GBBDRN CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000443486070 530453423 /nfs/dbraw/zinc/45/34/23/530453423.db2.gz PUJPZMZFZLDAPT-UHFFFAOYSA-N 0 0 392.459 -0.451 20 5 GBBDRN COC(=O)[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)O ZINC000443676179 1073317257 /nfs/dbraw/zinc/31/72/57/1073317257.db2.gz PIDMCPNKTQXBKE-RNCFNFMXSA-N 0 0 389.386 -0.698 20 5 GBBDRN COC(=O)[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000443676183 1073317136 /nfs/dbraw/zinc/31/71/36/1073317136.db2.gz PIDMCPNKTQXBKE-ZANVPECISA-N 0 0 389.386 -0.698 20 5 GBBDRN O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443681093 1073317815 /nfs/dbraw/zinc/31/78/15/1073317815.db2.gz CYYPEZRTDJMUTF-UHFFFAOYSA-N 0 0 396.425 -0.153 20 5 GBBDRN CCOC(=O)c1cc(S(=O)(=O)NCCOCC(N)=O)cc([N+](=O)[O-])c1C ZINC000443771945 1073340928 /nfs/dbraw/zinc/34/09/28/1073340928.db2.gz MRERRSKSSQEYOQ-UHFFFAOYSA-N 0 0 389.386 -0.140 20 5 GBBDRN NS(=O)(=O)CCN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443780273 530458154 /nfs/dbraw/zinc/45/81/54/530458154.db2.gz RXOCNKKRQIZKCA-UHFFFAOYSA-N 0 0 392.459 -0.669 20 5 GBBDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000443881859 1073378600 /nfs/dbraw/zinc/37/86/00/1073378600.db2.gz HZGWSNSCTLLYRD-LBPRGKRZSA-N 0 0 392.416 -0.542 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC(F)F ZINC000444025280 530460624 /nfs/dbraw/zinc/46/06/24/530460624.db2.gz OXKGECBIEPXLJU-UHFFFAOYSA-N 0 0 380.329 -0.629 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(F)F ZINC000444048707 530460651 /nfs/dbraw/zinc/46/06/51/530460651.db2.gz WINAPWCPFZNMCR-UHFFFAOYSA-N 0 0 380.329 -0.629 20 5 GBBDRN COc1cccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000444095322 1073449408 /nfs/dbraw/zinc/44/94/08/1073449408.db2.gz CGQKYFZXPONXTR-JTQLQIEISA-N 0 0 385.398 -0.021 20 5 GBBDRN COc1cccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1[N+](=O)[O-] ZINC000444095323 1073449706 /nfs/dbraw/zinc/44/97/06/1073449706.db2.gz CGQKYFZXPONXTR-SNVBAGLBSA-N 0 0 385.398 -0.021 20 5 GBBDRN CN(CC(=O)Nc1nccn(C)c1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000444107927 1073454317 /nfs/dbraw/zinc/45/43/17/1073454317.db2.gz XDIATEWHXMAGAF-UHFFFAOYSA-N 0 0 381.370 -0.052 20 5 GBBDRN COc1cccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1[N+](=O)[O-] ZINC000444143499 1073458415 /nfs/dbraw/zinc/45/84/15/1073458415.db2.gz QCVZOHYJISEWGA-UHFFFAOYSA-N 0 0 375.345 -0.426 20 5 GBBDRN CCc1n[nH]c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000444158882 1073460392 /nfs/dbraw/zinc/46/03/92/1073460392.db2.gz UZHTZZZVLFSEGN-GHMZBOCLSA-N 0 0 387.418 -0.892 20 5 GBBDRN CCc1n[nH]c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000444158885 1073460128 /nfs/dbraw/zinc/46/01/28/1073460128.db2.gz UZHTZZZVLFSEGN-MNOVXSKESA-N 0 0 387.418 -0.892 20 5 GBBDRN CCc1n[nH]c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000444158887 1073460348 /nfs/dbraw/zinc/46/03/48/1073460348.db2.gz UZHTZZZVLFSEGN-QWRGUYRKSA-N 0 0 387.418 -0.892 20 5 GBBDRN CCc1n[nH]c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[N+](=O)[O-] ZINC000444158889 1073460147 /nfs/dbraw/zinc/46/01/47/1073460147.db2.gz UZHTZZZVLFSEGN-WDEREUQCSA-N 0 0 387.418 -0.892 20 5 GBBDRN O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCC(F)F ZINC000444255746 530466241 /nfs/dbraw/zinc/46/62/41/530466241.db2.gz DKCLIRRSIQBCMG-UHFFFAOYSA-N 0 0 380.329 -0.629 20 5 GBBDRN CCc1[nH]nc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1[N+](=O)[O-] ZINC000444262056 1073470796 /nfs/dbraw/zinc/47/07/96/1073470796.db2.gz UIASDQCTCWORML-UHFFFAOYSA-N 0 0 377.361 0.188 20 5 GBBDRN CN1CCN(CC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000444322563 1073475305 /nfs/dbraw/zinc/47/53/05/1073475305.db2.gz ZCQPMUTVKRQUNR-UHFFFAOYSA-N 0 0 384.414 -0.741 20 5 GBBDRN COc1cccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1[N+](=O)[O-] ZINC000444365983 1073502612 /nfs/dbraw/zinc/50/26/12/1073502612.db2.gz QABAEJDYTWLKAE-UHFFFAOYSA-N 0 0 396.385 -0.132 20 5 GBBDRN C[C@@H](O)CN1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000444383027 1073513810 /nfs/dbraw/zinc/51/38/10/1073513810.db2.gz PXJJRHSWTQCAQP-GFCCVEGCSA-N 0 0 378.385 -0.155 20 5 GBBDRN C[C@@H](O)CN1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000444386183 1073512947 /nfs/dbraw/zinc/51/29/47/1073512947.db2.gz CWZDINSHNGEPDO-CYBMUJFWSA-N 0 0 379.417 -0.081 20 5 GBBDRN O=C(CN(CCO)CCN1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444401267 1073513911 /nfs/dbraw/zinc/51/39/11/1073513911.db2.gz WTCBLVXTQAQVSR-UHFFFAOYSA-N 0 0 396.400 -0.112 20 5 GBBDRN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000444436866 1073522072 /nfs/dbraw/zinc/52/20/72/1073522072.db2.gz NIXXADDRNDIVDH-BLLLJJGKSA-N 0 0 393.352 -0.155 20 5 GBBDRN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000444436867 1073522130 /nfs/dbraw/zinc/52/21/30/1073522130.db2.gz NIXXADDRNDIVDH-LRDDRELGSA-N 0 0 393.352 -0.155 20 5 GBBDRN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000444436868 1073521883 /nfs/dbraw/zinc/52/18/83/1073521883.db2.gz NIXXADDRNDIVDH-MLGOLLRUSA-N 0 0 393.352 -0.155 20 5 GBBDRN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000444436869 1073522095 /nfs/dbraw/zinc/52/20/95/1073522095.db2.gz NIXXADDRNDIVDH-WBMJQRKESA-N 0 0 393.352 -0.155 20 5 GBBDRN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000444439414 1073522913 /nfs/dbraw/zinc/52/29/13/1073522913.db2.gz VEVLIRZQCRRQEH-DZGCQCFKSA-N 0 0 394.384 -0.081 20 5 GBBDRN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000444439415 1073522694 /nfs/dbraw/zinc/52/26/94/1073522694.db2.gz VEVLIRZQCRRQEH-HIFRSBDPSA-N 0 0 394.384 -0.081 20 5 GBBDRN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000444439416 1073523275 /nfs/dbraw/zinc/52/32/75/1073523275.db2.gz VEVLIRZQCRRQEH-UKRRQHHQSA-N 0 0 394.384 -0.081 20 5 GBBDRN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000444439417 1073523077 /nfs/dbraw/zinc/52/30/77/1073523077.db2.gz VEVLIRZQCRRQEH-ZFWWWQNUSA-N 0 0 394.384 -0.081 20 5 GBBDRN COCc1noc(CN2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000444485989 1073534534 /nfs/dbraw/zinc/53/45/34/1073534534.db2.gz PUXAYARDDXHHTJ-UHFFFAOYSA-N 0 0 392.372 -0.370 20 5 GBBDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000444502176 1073535655 /nfs/dbraw/zinc/53/56/55/1073535655.db2.gz NJEUEMNRMNRJFQ-UHFFFAOYSA-N 0 0 388.384 0.177 20 5 GBBDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000444505705 1073535323 /nfs/dbraw/zinc/53/53/23/1073535323.db2.gz LEZQTGWFGWNYCH-UHFFFAOYSA-N 0 0 388.384 0.477 20 5 GBBDRN CCOC(=O)CNC(=O)[C@H]1COCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000444604517 1073542701 /nfs/dbraw/zinc/54/27/01/1073542701.db2.gz BQHZRFIPYRQFBD-CYBMUJFWSA-N 0 0 382.373 -0.863 20 5 GBBDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000444604521 1073542650 /nfs/dbraw/zinc/54/26/50/1073542650.db2.gz BQHZRFIPYRQFBD-ZDUSSCGKSA-N 0 0 382.373 -0.863 20 5 GBBDRN Cn1cc(S(=O)(=O)NCC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000444630531 1073544803 /nfs/dbraw/zinc/54/48/03/1073544803.db2.gz HGDLUDRNQQCKCV-UHFFFAOYSA-N 0 0 393.385 -0.201 20 5 GBBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)nc2c1 ZINC000444676846 1073545644 /nfs/dbraw/zinc/54/56/44/1073545644.db2.gz ONHIWFWUKWONEE-CABCVRRESA-N 0 0 395.441 -0.253 20 5 GBBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)nc2c1 ZINC000444676847 1073545737 /nfs/dbraw/zinc/54/57/37/1073545737.db2.gz ONHIWFWUKWONEE-GJZGRUSLSA-N 0 0 395.441 -0.253 20 5 GBBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)nc2c1 ZINC000444676848 1073545852 /nfs/dbraw/zinc/54/58/52/1073545852.db2.gz ONHIWFWUKWONEE-HUUCEWRRSA-N 0 0 395.441 -0.253 20 5 GBBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)nc2c1 ZINC000444676850 1073546191 /nfs/dbraw/zinc/54/61/91/1073546191.db2.gz ONHIWFWUKWONEE-LSDHHAIUSA-N 0 0 395.441 -0.253 20 5 GBBDRN COc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000444826171 1073551695 /nfs/dbraw/zinc/55/16/95/1073551695.db2.gz NJEYDFKVPOSCQY-CHWSQXEVSA-N 0 0 399.425 -0.481 20 5 GBBDRN COc1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000444826172 1073551714 /nfs/dbraw/zinc/55/17/14/1073551714.db2.gz NJEYDFKVPOSCQY-OLZOCXBDSA-N 0 0 399.425 -0.481 20 5 GBBDRN COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000444826173 1073551707 /nfs/dbraw/zinc/55/17/07/1073551707.db2.gz NJEYDFKVPOSCQY-QWHCGFSZSA-N 0 0 399.425 -0.481 20 5 GBBDRN COc1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000444826174 1073551305 /nfs/dbraw/zinc/55/13/05/1073551305.db2.gz NJEYDFKVPOSCQY-STQMWFEESA-N 0 0 399.425 -0.481 20 5 GBBDRN COCCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444964475 1073554737 /nfs/dbraw/zinc/55/47/37/1073554737.db2.gz YXWKJCHGALVUQD-UHFFFAOYSA-N 0 0 388.402 -0.181 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000445041459 530110668 /nfs/dbraw/zinc/11/06/68/530110668.db2.gz YZNTWPIDOAUFIN-NXEZZACHSA-N 0 0 395.463 -0.050 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000445041464 530110798 /nfs/dbraw/zinc/11/07/98/530110798.db2.gz YZNTWPIDOAUFIN-UWVGGRQHSA-N 0 0 395.463 -0.050 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000445041466 530110912 /nfs/dbraw/zinc/11/09/12/530110912.db2.gz YZNTWPIDOAUFIN-VHSXEESVSA-N 0 0 395.463 -0.050 20 5 GBBDRN CCn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])n1 ZINC000445041468 530110934 /nfs/dbraw/zinc/11/09/34/530110934.db2.gz YZNTWPIDOAUFIN-ZJUUUORDSA-N 0 0 395.463 -0.050 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445064587 530110800 /nfs/dbraw/zinc/11/08/00/530110800.db2.gz FLNPHFHRBDPVID-ZETCQYMHSA-N 0 0 384.413 -0.383 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000445066389 530110748 /nfs/dbraw/zinc/11/07/48/530110748.db2.gz LKFMYAXTWNHPKV-LBPRGKRZSA-N 0 0 392.411 -0.303 20 5 GBBDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000445078557 530110751 /nfs/dbraw/zinc/11/07/51/530110751.db2.gz IZICPEXSHRJVOK-VIFPVBQESA-N 0 0 398.440 -0.075 20 5 GBBDRN CN1CCN(C(=O)Cn2cc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cn2)CC1 ZINC000445174791 1073566510 /nfs/dbraw/zinc/56/65/10/1073566510.db2.gz BCPNUCSVLXGGBO-UHFFFAOYSA-N 0 0 389.372 -0.082 20 5 GBBDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445190193 1073565209 /nfs/dbraw/zinc/56/52/09/1073565209.db2.gz KKVAAWLMIQCGHF-GFCCVEGCSA-N 0 0 395.416 -0.006 20 5 GBBDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445190194 1073565104 /nfs/dbraw/zinc/56/51/04/1073565104.db2.gz KKVAAWLMIQCGHF-LBPRGKRZSA-N 0 0 395.416 -0.006 20 5 GBBDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445191479 1073566557 /nfs/dbraw/zinc/56/65/57/1073566557.db2.gz LTAZMAOIIKMHCN-GFCCVEGCSA-N 0 0 393.400 -0.300 20 5 GBBDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445191484 1073565854 /nfs/dbraw/zinc/56/58/54/1073565854.db2.gz LTAZMAOIIKMHCN-LBPRGKRZSA-N 0 0 393.400 -0.300 20 5 GBBDRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445199050 1073567363 /nfs/dbraw/zinc/56/73/63/1073567363.db2.gz XCFJTJHVPJKKQV-UHFFFAOYSA-N 0 0 391.340 -0.871 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(CCO)CC1 ZINC000445734219 1073581052 /nfs/dbraw/zinc/58/10/52/1073581052.db2.gz PJIMKNUUBAMYLG-UHFFFAOYSA-N 0 0 386.430 -0.600 20 5 GBBDRN Cn1cc(C(N)=O)cc1C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000445914758 1073587287 /nfs/dbraw/zinc/58/72/87/1073587287.db2.gz WZOPOAAMBKBWGM-UHFFFAOYSA-N 0 0 395.397 -0.260 20 5 GBBDRN Cn1cnc(CCNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000446016868 1073591477 /nfs/dbraw/zinc/59/14/77/1073591477.db2.gz VUIXQEDAZDYDFX-UHFFFAOYSA-N 0 0 397.417 -0.457 20 5 GBBDRN Cn1cnc(CCNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000446021351 1073590957 /nfs/dbraw/zinc/59/09/57/1073590957.db2.gz PXGQYXFTEXLYQA-UHFFFAOYSA-N 0 0 397.417 -0.457 20 5 GBBDRN Cn1cc(C(N)=O)cc1C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000446022876 1073591490 /nfs/dbraw/zinc/59/14/90/1073591490.db2.gz WXOWFLTZOHXVES-UHFFFAOYSA-N 0 0 395.397 -0.260 20 5 GBBDRN Cn1cnc(CCNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000446023480 1073590326 /nfs/dbraw/zinc/59/03/26/1073590326.db2.gz FBEQWPWFGNPEQI-UHFFFAOYSA-N 0 0 397.417 -0.457 20 5 GBBDRN Cn1cc(C(N)=O)cc1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000446310639 1073603476 /nfs/dbraw/zinc/60/34/76/1073603476.db2.gz MYKUGSDCDPNAHG-UHFFFAOYSA-N 0 0 395.397 -0.260 20 5 GBBDRN COC(=O)[C@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000446487589 1073609273 /nfs/dbraw/zinc/60/92/73/1073609273.db2.gz CIZDPFIXCGMEJK-INIZCTEOSA-N 0 0 379.325 -0.232 20 5 GBBDRN COC(=O)[C@@]1(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000446487590 1073609380 /nfs/dbraw/zinc/60/93/80/1073609380.db2.gz CIZDPFIXCGMEJK-MRXNPFEDSA-N 0 0 379.325 -0.232 20 5 GBBDRN Cn1cnc(CCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000446497815 1073609354 /nfs/dbraw/zinc/60/93/54/1073609354.db2.gz NHUDWMKHLSOMTO-UHFFFAOYSA-N 0 0 382.402 -0.249 20 5 GBBDRN Cn1cnc(CCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000446499211 1073609899 /nfs/dbraw/zinc/60/98/99/1073609899.db2.gz 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20 5 GBBDRN Cc1c(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC000446523711 1073611524 /nfs/dbraw/zinc/61/15/24/1073611524.db2.gz VFDUYONEAKBSMW-NSHDSACASA-N 0 0 385.398 -0.150 20 5 GBBDRN COC(=O)[C@]1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000446718205 1073617957 /nfs/dbraw/zinc/61/79/57/1073617957.db2.gz AEJFBAJRLZYVDL-INIZCTEOSA-N 0 0 380.357 -0.158 20 5 GBBDRN COC(=O)[C@@]1(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000446718206 1073617939 /nfs/dbraw/zinc/61/79/39/1073617939.db2.gz AEJFBAJRLZYVDL-MRXNPFEDSA-N 0 0 380.357 -0.158 20 5 GBBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000446738519 1073620792 /nfs/dbraw/zinc/62/07/92/1073620792.db2.gz IRASNOVVFUTXFY-CYBMUJFWSA-N 0 0 396.425 -0.034 20 5 GBBDRN O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000446738520 1073620991 /nfs/dbraw/zinc/62/09/91/1073620991.db2.gz IRASNOVVFUTXFY-ZDUSSCGKSA-N 0 0 396.425 -0.034 20 5 GBBDRN Cn1nccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000446783303 1073624034 /nfs/dbraw/zinc/62/40/34/1073624034.db2.gz DYOQKNQVTJQCGL-UHFFFAOYSA-N 0 0 396.385 -0.639 20 5 GBBDRN C[NH+](C)CCNS(=O)(=O)c1ccc(NCc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000446861465 1073627318 /nfs/dbraw/zinc/62/73/18/1073627318.db2.gz MAHRBGCVEHADDY-UHFFFAOYSA-N 0 0 385.406 -0.130 20 5 GBBDRN NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447032779 530131885 /nfs/dbraw/zinc/13/18/85/530131885.db2.gz ASDRSVNYGOKSKX-UHFFFAOYSA-N 0 0 384.292 -0.425 20 5 GBBDRN NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447035662 530131873 /nfs/dbraw/zinc/13/18/73/530131873.db2.gz YLYHWBYIDVBMIL-UHFFFAOYSA-N 0 0 395.191 -0.681 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@]1(CCO)CCOC1 ZINC000447064097 1073632485 /nfs/dbraw/zinc/63/24/85/1073632485.db2.gz TWOWDTONWTXOCG-HNNXBMFYSA-N 0 0 387.414 -0.079 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@]1(CCO)CCOC1 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C[C@@H]1OCC[C@]1(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447748022 1073659827 /nfs/dbraw/zinc/65/98/27/1073659827.db2.gz VJLNNHPXKAQTRK-NHYWBVRUSA-N 0 0 387.414 -0.081 20 5 GBBDRN C[C@@H]1OCC[C@@]1(O)CNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000447748023 1073659951 /nfs/dbraw/zinc/65/99/51/1073659951.db2.gz VJLNNHPXKAQTRK-XHDPSFHLSA-N 0 0 387.414 -0.081 20 5 GBBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000447749941 1073659942 /nfs/dbraw/zinc/65/99/42/1073659942.db2.gz FVOUBWFVEDKQSX-INIZCTEOSA-N 0 0 385.340 -0.010 20 5 GBBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000447749942 1073659979 /nfs/dbraw/zinc/65/99/79/1073659979.db2.gz FVOUBWFVEDKQSX-MRXNPFEDSA-N 0 0 385.340 -0.010 20 5 GBBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000447761377 1073661164 /nfs/dbraw/zinc/66/11/64/1073661164.db2.gz VESRWTQLELVVJD-INIZCTEOSA-N 0 0 375.341 -0.475 20 5 GBBDRN 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COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)OC)[C@@H](C)O ZINC000468987444 530133284 /nfs/dbraw/zinc/13/32/84/530133284.db2.gz MPELMQFYUZVPAD-RDDDGLTNSA-N 0 0 376.343 -0.418 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C(=O)OC)[C@H](C)O ZINC000468987551 530133049 /nfs/dbraw/zinc/13/30/49/530133049.db2.gz MPELMQFYUZVPAD-WRWORJQWSA-N 0 0 376.343 -0.418 20 5 GBBDRN COc1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000468991591 530132772 /nfs/dbraw/zinc/13/27/72/530132772.db2.gz PWTBFNLQICOCFC-UHFFFAOYSA-N 0 0 379.416 -0.131 20 5 GBBDRN O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)N3CCS(=O)(=O)CC3)C2)cc1 ZINC000469073441 530133230 /nfs/dbraw/zinc/13/32/30/530133230.db2.gz SLLTVACWENUYCE-UHFFFAOYSA-N 0 0 391.427 -0.367 20 5 GBBDRN Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000469310329 530133174 /nfs/dbraw/zinc/13/31/74/530133174.db2.gz ZMITZUBQNIRUHR-UHFFFAOYSA-N 0 0 390.403 -0.643 20 5 GBBDRN COC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(=O)OC ZINC000469316693 638327789 /nfs/dbraw/zinc/32/77/89/638327789.db2.gz YJZMQUHGEOJDRS-JTQLQIEISA-N 0 0 376.343 -0.152 20 5 GBBDRN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(=O)OC ZINC000469316728 530133123 /nfs/dbraw/zinc/13/31/23/530133123.db2.gz YJZMQUHGEOJDRS-SNVBAGLBSA-N 0 0 376.343 -0.152 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000469327934 1072767483 /nfs/dbraw/zinc/76/74/83/1072767483.db2.gz MKQAWEWFJNSQAX-LLVKDONJSA-N 0 0 388.354 -0.056 20 5 GBBDRN COCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(N)=O ZINC000469363655 530133271 /nfs/dbraw/zinc/13/32/71/530133271.db2.gz POLVIXTTWIIBRJ-JTQLQIEISA-N 0 0 375.359 -0.450 20 5 GBBDRN COCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(N)=O ZINC000469363659 530132964 /nfs/dbraw/zinc/13/29/64/530132964.db2.gz POLVIXTTWIIBRJ-SNVBAGLBSA-N 0 0 375.359 -0.450 20 5 GBBDRN Cc1c(C(=O)N2CCS(=O)(=O)C[C@H]2C)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469477622 530133222 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/nfs/dbraw/zinc/13/31/95/530133195.db2.gz KQHLIOXGECUYQB-SECBINFHSA-N 0 0 391.427 -0.142 20 5 GBBDRN Cc1c(C(=O)N[C@H]2CCCS(=O)(=O)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000469962528 530133101 /nfs/dbraw/zinc/13/31/01/530133101.db2.gz KQHLIOXGECUYQB-VIFPVBQESA-N 0 0 391.427 -0.142 20 5 GBBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000470788277 530133530 /nfs/dbraw/zinc/13/35/30/530133530.db2.gz FNIVDYATYTYFBS-UHFFFAOYSA-N 0 0 392.459 -0.502 20 5 GBBDRN Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000470790092 530133762 /nfs/dbraw/zinc/13/37/62/530133762.db2.gz PQJLQPHFSFABJS-UHFFFAOYSA-N 0 0 392.459 -0.502 20 5 GBBDRN NC(=O)[C@]1(O)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000471105265 1072127137 /nfs/dbraw/zinc/12/71/37/1072127137.db2.gz VICRYQJDDFGQMO-INIZCTEOSA-N 0 0 378.341 -0.268 20 5 GBBDRN NC(=O)[C@@]1(O)CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1 ZINC000471105274 1072127044 /nfs/dbraw/zinc/12/70/44/1072127044.db2.gz VICRYQJDDFGQMO-MRXNPFEDSA-N 0 0 378.341 -0.268 20 5 GBBDRN O=C([C@@H]1CCNC(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000471160277 1072182092 /nfs/dbraw/zinc/18/20/92/1072182092.db2.gz FBTVBDPHRXCHSI-GFCCVEGCSA-N 0 0 396.425 -0.046 20 5 GBBDRN O=C([C@H]1CCNC(=O)C1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000471160278 1072182082 /nfs/dbraw/zinc/18/20/82/1072182082.db2.gz FBTVBDPHRXCHSI-LBPRGKRZSA-N 0 0 396.425 -0.046 20 5 GBBDRN O=C([C@@H]1CCNC(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000471165390 1072186471 /nfs/dbraw/zinc/18/64/71/1072186471.db2.gz OCVPFTVKMLLOQF-GFCCVEGCSA-N 0 0 396.425 -0.046 20 5 GBBDRN O=C([C@H]1CCNC(=O)C1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000471165391 1072186774 /nfs/dbraw/zinc/18/67/74/1072186774.db2.gz OCVPFTVKMLLOQF-LBPRGKRZSA-N 0 0 396.425 -0.046 20 5 GBBDRN COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000471316408 1072291569 /nfs/dbraw/zinc/29/15/69/1072291569.db2.gz XPMGSXAFIORYEH-KBPBESRZSA-N 0 0 399.425 -0.481 20 5 GBBDRN COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000471316409 1072291518 /nfs/dbraw/zinc/29/15/18/1072291518.db2.gz XPMGSXAFIORYEH-KGLIPLIRSA-N 0 0 399.425 -0.481 20 5 GBBDRN COc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000471316410 1072291251 /nfs/dbraw/zinc/29/12/51/1072291251.db2.gz XPMGSXAFIORYEH-UONOGXRCSA-N 0 0 399.425 -0.481 20 5 GBBDRN COc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000471316411 1072291421 /nfs/dbraw/zinc/29/14/21/1072291421.db2.gz XPMGSXAFIORYEH-ZIAGYGMSSA-N 0 0 399.425 -0.481 20 5 GBBDRN Cc1c(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471317490 1072292193 /nfs/dbraw/zinc/29/21/93/1072292193.db2.gz PFSYWPDYBKCFMJ-CVEARBPZSA-N 0 0 397.453 -0.252 20 5 GBBDRN Cc1c(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471317491 1072292014 /nfs/dbraw/zinc/29/20/14/1072292014.db2.gz PFSYWPDYBKCFMJ-HOTGVXAUSA-N 0 0 397.453 -0.252 20 5 GBBDRN Cc1c(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471317492 1072292065 /nfs/dbraw/zinc/29/20/65/1072292065.db2.gz PFSYWPDYBKCFMJ-HZPDHXFCSA-N 0 0 397.453 -0.252 20 5 GBBDRN Cc1c(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471317493 1072292134 /nfs/dbraw/zinc/29/21/34/1072292134.db2.gz PFSYWPDYBKCFMJ-JKSUJKDBSA-N 0 0 397.453 -0.252 20 5 GBBDRN CNc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471318082 1072293240 /nfs/dbraw/zinc/29/32/40/1072293240.db2.gz CEQUDXUANACHJB-KBPBESRZSA-N 0 0 398.441 -0.448 20 5 GBBDRN CNc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471318083 1072293152 /nfs/dbraw/zinc/29/31/52/1072293152.db2.gz CEQUDXUANACHJB-KGLIPLIRSA-N 0 0 398.441 -0.448 20 5 GBBDRN CNc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471318085 1072292769 /nfs/dbraw/zinc/29/27/69/1072292769.db2.gz CEQUDXUANACHJB-UONOGXRCSA-N 0 0 398.441 -0.448 20 5 GBBDRN CNc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000471318086 1072293261 /nfs/dbraw/zinc/29/32/61/1072293261.db2.gz CEQUDXUANACHJB-ZIAGYGMSSA-N 0 0 398.441 -0.448 20 5 GBBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000471326013 530133960 /nfs/dbraw/zinc/13/39/60/530133960.db2.gz GASBQAZPVXKBMC-GHMZBOCLSA-N 0 0 375.428 -0.428 20 5 GBBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000471326017 530133932 /nfs/dbraw/zinc/13/39/32/530133932.db2.gz GASBQAZPVXKBMC-MNOVXSKESA-N 0 0 375.428 -0.428 20 5 GBBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000471326019 530133955 /nfs/dbraw/zinc/13/39/55/530133955.db2.gz GASBQAZPVXKBMC-QWRGUYRKSA-N 0 0 375.428 -0.428 20 5 GBBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000471326021 530133723 /nfs/dbraw/zinc/13/37/23/530133723.db2.gz GASBQAZPVXKBMC-WDEREUQCSA-N 0 0 375.428 -0.428 20 5 GBBDRN 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REPFPIDKRKZOLC-FZMZJTMJSA-N 0 0 387.414 -0.223 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H](O)[C@@H]1CCOC1 ZINC000475532147 1073516717 /nfs/dbraw/zinc/51/67/17/1073516717.db2.gz REPFPIDKRKZOLC-RISCZKNCSA-N 0 0 387.414 -0.223 20 5 GBBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H](O)[C@H]1CCOC1 ZINC000475532149 1073517178 /nfs/dbraw/zinc/51/71/78/1073517178.db2.gz REPFPIDKRKZOLC-SMDDNHRTSA-N 0 0 387.414 -0.223 20 5 GBBDRN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)NC3CC3)CC2)c1 ZINC000475541432 530094358 /nfs/dbraw/zinc/09/43/58/530094358.db2.gz FGWVEDYVDPAOMZ-UHFFFAOYSA-N 0 0 390.443 -0.102 20 5 GBBDRN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)NC2CC2)CC1 ZINC000475546976 530135189 /nfs/dbraw/zinc/13/51/89/530135189.db2.gz KOCZHRIAMODEQG-UHFFFAOYSA-N 0 0 390.443 -0.102 20 5 GBBDRN CS(=O)(=O)c1ccc(NCCNS(=O)(=O)NC2CC2)c([N+](=O)[O-])c1 ZINC000475567832 530134781 /nfs/dbraw/zinc/13/47/81/530134781.db2.gz SSZQMDIMFOBVSO-UHFFFAOYSA-N 0 0 378.432 -0.003 20 5 GBBDRN COc1c(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000475604877 1073533489 /nfs/dbraw/zinc/53/34/89/1073533489.db2.gz QBMFJUCJGAWFKP-JTQLQIEISA-N 0 0 385.398 -0.021 20 5 GBBDRN COc1c(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cccc1[N+](=O)[O-] ZINC000475604878 1073533582 /nfs/dbraw/zinc/53/35/82/1073533582.db2.gz QBMFJUCJGAWFKP-SNVBAGLBSA-N 0 0 385.398 -0.021 20 5 GBBDRN COC(=O)COc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000475699413 1073841400 /nfs/dbraw/zinc/84/14/00/1073841400.db2.gz HMOTYZRUJBTYIN-GFCCVEGCSA-N 0 0 392.368 -0.711 20 5 GBBDRN COC(=O)COc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1[N+](=O)[O-] ZINC000475699414 1073841088 /nfs/dbraw/zinc/84/10/88/1073841088.db2.gz HMOTYZRUJBTYIN-LBPRGKRZSA-N 0 0 392.368 -0.711 20 5 GBBDRN Cc1nc(NCC2(O)CCOCC2)nc(NCC2(O)CCOCC2)c1[N+](=O)[O-] ZINC000475720230 1073861110 /nfs/dbraw/zinc/86/11/10/1073861110.db2.gz JNZHZWLNVHLWJM-UHFFFAOYSA-N 0 0 397.432 -0.556 20 5 GBBDRN CN(C)S(=O)(=O)c1ccc(N2CCN(S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000477000065 530088156 /nfs/dbraw/zinc/08/81/56/530088156.db2.gz FRCFLOFOEYVMAB-UHFFFAOYSA-N 0 0 393.447 -0.829 20 5 GBBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCc1nnnn1C ZINC000477081083 1072569720 /nfs/dbraw/zinc/56/97/20/1072569720.db2.gz FKRXRWLMTXGICF-MRVPVSSYSA-N 0 0 383.390 -0.121 20 5 GBBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000477083000 530091239 /nfs/dbraw/zinc/09/12/39/530091239.db2.gz BONYHDLHWZAFCZ-JTQLQIEISA-N 0 0 392.459 -0.027 20 5 GBBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000477083014 530091237 /nfs/dbraw/zinc/09/12/37/530091237.db2.gz BONYHDLHWZAFCZ-SNVBAGLBSA-N 0 0 392.459 -0.027 20 5 GBBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000477123362 530092854 /nfs/dbraw/zinc/09/28/54/530092854.db2.gz WXGOYGWHPPJFIF-JTQLQIEISA-N 0 0 378.432 -0.288 20 5 GBBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000477123373 530092837 /nfs/dbraw/zinc/09/28/37/530092837.db2.gz WXGOYGWHPPJFIF-SNVBAGLBSA-N 0 0 378.432 -0.288 20 5 GBBDRN O=C(Cn1cnc([N+](=O)[O-])n1)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000477151250 530093214 /nfs/dbraw/zinc/09/32/14/530093214.db2.gz PAMMREYJKMGOII-UHFFFAOYSA-N 0 0 388.793 -0.066 20 5 GBBDRN Cc1c(C(=O)NCC2(S(C)(=O)=O)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000477251049 677368810 /nfs/dbraw/zinc/36/88/10/677368810.db2.gz CPLZXABIWBEQOH-UHFFFAOYSA-N 0 0 391.427 -0.142 20 5 GBBDRN CS(=O)(=O)N1CCC(CS(=O)(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000477480929 530094342 /nfs/dbraw/zinc/09/43/42/530094342.db2.gz YKEPABSWMAEIBU-UHFFFAOYSA-N 0 0 395.463 -0.618 20 5 GBBDRN COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])nn2C)cc1S(N)(=O)=O ZINC000477916422 1072256336 /nfs/dbraw/zinc/25/63/36/1072256336.db2.gz FCIJEIFXBZFTOW-UHFFFAOYSA-N 0 0 383.386 -0.043 20 5 GBBDRN O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000478041283 1072311637 /nfs/dbraw/zinc/31/16/37/1072311637.db2.gz MFSWFRGZXFPSHG-BPJKLTAVSA-N 0 0 397.409 -0.520 20 5 GBBDRN NC(=O)c1ccc(S(=O)(=O)N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000478427488 1072349033 /nfs/dbraw/zinc/34/90/33/1072349033.db2.gz BVGSFDMUSVFCHW-UHFFFAOYSA-N 0 0 398.401 -0.510 20 5 GBBDRN C[C@]1(C(N)=O)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000478542513 1072350238 /nfs/dbraw/zinc/35/02/38/1072350238.db2.gz MJEJDTJFXOVMQW-HNNXBMFYSA-N 0 0 384.414 -0.013 20 5 GBBDRN C[C@@]1(C(N)=O)CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000478542514 1072350647 /nfs/dbraw/zinc/35/06/47/1072350647.db2.gz MJEJDTJFXOVMQW-OAHLLOKOSA-N 0 0 384.414 -0.013 20 5 GBBDRN C[C@](O)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)CN1CCOCC1 ZINC000478550504 1072350605 /nfs/dbraw/zinc/35/06/05/1072350605.db2.gz FOBFOOZEVHHXKK-KRWDZBQOSA-N 0 0 390.400 -0.012 20 5 GBBDRN C[C@@](O)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)CN1CCOCC1 ZINC000478550506 1072350345 /nfs/dbraw/zinc/35/03/45/1072350345.db2.gz FOBFOOZEVHHXKK-QGZVFWFLSA-N 0 0 390.400 -0.012 20 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GRDFGTSNPCHDFB-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000599182038 530080082 /nfs/dbraw/zinc/08/00/82/530080082.db2.gz HWJDYQFFCBEUCA-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599182675 530080025 /nfs/dbraw/zinc/08/00/25/530080025.db2.gz OYCYVXRDSCFJRW-UHFFFAOYSA-N 0 0 384.461 -0.038 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599182697 530079952 /nfs/dbraw/zinc/07/99/52/530079952.db2.gz PLCMGSHLDGVMOG-UHFFFAOYSA-N 0 0 378.432 -0.099 20 5 GBBDRN CNS(=O)(=O)c1ccc(NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1 ZINC000599182723 530079841 /nfs/dbraw/zinc/07/98/41/530079841.db2.gz QUTDNHDJFGNHPJ-UHFFFAOYSA-N 0 0 393.447 -0.595 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000599182729 530080065 /nfs/dbraw/zinc/08/00/65/530080065.db2.gz RCBXTHYUKOKAJY-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000599182983 530080149 /nfs/dbraw/zinc/08/01/49/530080149.db2.gz UAHJQBDHYNRGAS-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000599183176 530079964 /nfs/dbraw/zinc/07/99/64/530079964.db2.gz XZOHOOCPPDSRKJ-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000599183181 530079848 /nfs/dbraw/zinc/07/98/48/530079848.db2.gz YBXRCULDPBYDNG-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN CS(=O)(=O)NC[C@@H]1COCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599185210 530079836 /nfs/dbraw/zinc/07/98/36/530079836.db2.gz NCTNSUKCYMJPBI-MRVPVSSYSA-N 0 0 399.472 -0.186 20 5 GBBDRN CS(=O)(=O)NC[C@H]1COCCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599185211 530080089 /nfs/dbraw/zinc/08/00/89/530080089.db2.gz NCTNSUKCYMJPBI-QMMMGPOBSA-N 0 0 399.472 -0.186 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000599185225 530080133 /nfs/dbraw/zinc/08/01/33/530080133.db2.gz NQJJXISNZCOKIL-UHFFFAOYSA-N 0 0 378.432 -0.099 20 5 GBBDRN CS(=O)(=O)NC[C@H]1COCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599185516 530079953 /nfs/dbraw/zinc/07/99/53/530079953.db2.gz QRUVDNVYIPTGHD-JTQLQIEISA-N 0 0 393.443 -0.247 20 5 GBBDRN CS(=O)(=O)NC[C@@H]1COCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599185517 530080010 /nfs/dbraw/zinc/08/00/10/530080010.db2.gz QRUVDNVYIPTGHD-SNVBAGLBSA-N 0 0 393.443 -0.247 20 5 GBBDRN CN(C)S(=O)(=O)N1CC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000599185780 530080130 /nfs/dbraw/zinc/08/01/30/530080130.db2.gz SZUJNYGCOVJIEL-UHFFFAOYSA-N 0 0 379.420 -0.855 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 ZINC000599208517 530079808 /nfs/dbraw/zinc/07/98/08/530079808.db2.gz HZQZGRPNSIAQNC-UHFFFAOYSA-N 0 0 387.399 -0.273 20 5 GBBDRN CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599212774 530079803 /nfs/dbraw/zinc/07/98/03/530079803.db2.gz FKJZDSHUWIHYOQ-UHFFFAOYSA-N 0 0 395.463 -0.189 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)n1 ZINC000599214633 530080079 /nfs/dbraw/zinc/08/00/79/530080079.db2.gz ZXKJAAKBFZKENH-SECBINFHSA-N 0 0 381.436 -0.579 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2CNS(C)(=O)=O)n1 ZINC000599214634 530079917 /nfs/dbraw/zinc/07/99/17/530079917.db2.gz ZXKJAAKBFZKENH-VIFPVBQESA-N 0 0 381.436 -0.579 20 5 GBBDRN CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599214677 530080068 /nfs/dbraw/zinc/08/00/68/530080068.db2.gz AZTRRVSKPKCLQB-UHFFFAOYSA-N 0 0 389.415 -0.285 20 5 GBBDRN CCOC(=O)CN1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599225286 530079903 /nfs/dbraw/zinc/07/99/03/530079903.db2.gz JNMOCVFBDLWHAF-UHFFFAOYSA-N 0 0 375.407 -0.412 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CSC[C@H]2C(=O)NCC2CC2)n1 ZINC000599228964 530079950 /nfs/dbraw/zinc/07/99/50/530079950.db2.gz JJLCLKVDMRMHFC-JTQLQIEISA-N 0 0 375.432 -0.082 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CSC[C@@H]2C(=O)NCC2CC2)n1 ZINC000599228965 530080106 /nfs/dbraw/zinc/08/01/06/530080106.db2.gz JJLCLKVDMRMHFC-SNVBAGLBSA-N 0 0 375.432 -0.082 20 5 GBBDRN CCN(C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000599229074 530079812 /nfs/dbraw/zinc/07/98/12/530079812.db2.gz PKFPTMSFJRBMTK-UHFFFAOYSA-N 0 0 395.463 -0.237 20 5 GBBDRN CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599229452 530079781 /nfs/dbraw/zinc/07/97/81/530079781.db2.gz WXIHJCSMFIBXIV-UHFFFAOYSA-N 0 0 395.463 -0.237 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc32)n1 ZINC000599234240 530079832 /nfs/dbraw/zinc/07/98/32/530079832.db2.gz GFTLWFVJTNVNIN-UHFFFAOYSA-N 0 0 387.399 -0.273 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N(CCO)CCOCC(F)(F)F)n1 ZINC000599244805 530079796 /nfs/dbraw/zinc/07/97/96/530079796.db2.gz LWPNSOIURLVTAX-UHFFFAOYSA-N 0 0 376.313 -0.110 20 5 GBBDRN CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599244936 530080057 /nfs/dbraw/zinc/08/00/57/530080057.db2.gz NGAKGIYKMGTKAX-LLVKDONJSA-N 0 0 380.423 -0.249 20 5 GBBDRN CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599244939 530080008 /nfs/dbraw/zinc/08/00/08/530080008.db2.gz NGAKGIYKMGTKAX-NSHDSACASA-N 0 0 380.423 -0.249 20 5 GBBDRN COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599246859 530079939 /nfs/dbraw/zinc/07/99/39/530079939.db2.gz NJPNIZYEMZGRDQ-JTQLQIEISA-N 0 0 375.407 -0.414 20 5 GBBDRN COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599246860 530080046 /nfs/dbraw/zinc/08/00/46/530080046.db2.gz NJPNIZYEMZGRDQ-SNVBAGLBSA-N 0 0 375.407 -0.414 20 5 GBBDRN COC(=O)CCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599271880 530079759 /nfs/dbraw/zinc/07/97/59/530079759.db2.gz JHMFIVKPFOQQEP-JTQLQIEISA-N 0 0 375.407 -0.414 20 5 GBBDRN COC(=O)CCN1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599271881 530079926 /nfs/dbraw/zinc/07/99/26/530079926.db2.gz JHMFIVKPFOQQEP-SNVBAGLBSA-N 0 0 375.407 -0.414 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n1 ZINC000599272133 530080103 /nfs/dbraw/zinc/08/01/03/530080103.db2.gz QKLYUVAUVYSGHN-UHFFFAOYSA-N 0 0 393.447 -0.437 20 5 GBBDRN COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599283083 530182329 /nfs/dbraw/zinc/18/23/29/530182329.db2.gz XZXCIPFOHRIZBP-UHFFFAOYSA-N 0 0 375.407 -0.414 20 5 GBBDRN Cc1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1S(N)(=O)=O ZINC000599290841 530079947 /nfs/dbraw/zinc/07/99/47/530079947.db2.gz DHZMGJQDYSCOEU-UHFFFAOYSA-N 0 0 389.415 -0.237 20 5 GBBDRN Cc1cc(S(N)(=O)=O)ccc1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599291321 530079987 /nfs/dbraw/zinc/07/99/87/530079987.db2.gz LDZXRMVXZAKDOA-UHFFFAOYSA-N 0 0 389.415 -0.237 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000599293210 530080337 /nfs/dbraw/zinc/08/03/37/530080337.db2.gz SIHBXGGAMGHHTE-JTQLQIEISA-N 0 0 393.447 -0.483 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000599293212 530080547 /nfs/dbraw/zinc/08/05/47/530080547.db2.gz SIHBXGGAMGHHTE-SNVBAGLBSA-N 0 0 393.447 -0.483 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000599302109 530080503 /nfs/dbraw/zinc/08/05/03/530080503.db2.gz FGNBORMJYYWHBC-UHFFFAOYSA-N 0 0 393.447 -0.483 20 5 GBBDRN CN(C[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000599307892 530080533 /nfs/dbraw/zinc/08/05/33/530080533.db2.gz NYQGJLGFQYHGFF-JTQLQIEISA-N 0 0 395.463 -0.380 20 5 GBBDRN CN(C[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000599307894 530080556 /nfs/dbraw/zinc/08/05/56/530080556.db2.gz NYQGJLGFQYHGFF-SNVBAGLBSA-N 0 0 395.463 -0.380 20 5 GBBDRN CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599307907 530080347 /nfs/dbraw/zinc/08/03/47/530080347.db2.gz OCLOWVJRIJDJHC-SECBINFHSA-N 0 0 381.436 -0.627 20 5 GBBDRN CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599307908 530080545 /nfs/dbraw/zinc/08/05/45/530080545.db2.gz OCLOWVJRIJDJHC-VIFPVBQESA-N 0 0 381.436 -0.627 20 5 GBBDRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599308589 530080571 /nfs/dbraw/zinc/08/05/71/530080571.db2.gz UAKBPCYXRTXZSS-SECBINFHSA-N 0 0 381.436 -0.627 20 5 GBBDRN CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599316433 530080407 /nfs/dbraw/zinc/08/04/07/530080407.db2.gz ADKWQRBBTUBTCW-UHFFFAOYSA-N 0 0 389.415 -0.204 20 5 GBBDRN COCC(COC)N1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599327247 530079937 /nfs/dbraw/zinc/07/99/37/530079937.db2.gz QDNOGIFLBCMZRJ-UHFFFAOYSA-N 0 0 377.423 -0.704 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)n1 ZINC000599327650 530079963 /nfs/dbraw/zinc/07/99/63/530079963.db2.gz VJENGKKZEVQQQM-LLVKDONJSA-N 0 0 378.432 -0.084 20 5 GBBDRN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)n1 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ZINC001656649402 1071611669 /nfs/dbraw/zinc/61/16/69/1071611669.db2.gz HOXSITAWCNPFCE-UHFFFAOYSA-N 0 0 399.381 -0.354 20 5 GBBDRN CCn1cc(S(=O)(=O)N2CCN(CC(F)(F)CO)CC2)c([N+](=O)[O-])n1 ZINC001656805789 1071613804 /nfs/dbraw/zinc/61/38/04/1071613804.db2.gz DDHCHIZYMFVOHQ-UHFFFAOYSA-N 0 0 383.377 -0.255 20 5 GBBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001657124899 1071619173 /nfs/dbraw/zinc/61/91/73/1071619173.db2.gz FWQDGWKAXCZKGL-MRVPVSSYSA-N 0 0 396.834 -0.229 20 5 GBBDRN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001657124900 1071619191 /nfs/dbraw/zinc/61/91/91/1071619191.db2.gz FWQDGWKAXCZKGL-QMMMGPOBSA-N 0 0 396.834 -0.229 20 5 GBBDRN Cc1cc(C)c(S(=O)(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] ZINC001657125359 1071619745 /nfs/dbraw/zinc/61/97/45/1071619745.db2.gz NHEWAWPOYWPDPJ-LLVKDONJSA-N 0 0 390.443 -0.265 20 5 GBBDRN Cc1cc(C)c(S(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1[N+](=O)[O-] ZINC001657125361 1071619835 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CS(=O)(=O)N1CC(CS(=O)(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC001660483786 1071643626 /nfs/dbraw/zinc/64/36/26/1071643626.db2.gz QTEXWCLFIOQDMH-UHFFFAOYSA-N 0 0 392.459 -0.183 20 5 GBBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001660499784 1071643380 /nfs/dbraw/zinc/64/33/80/1071643380.db2.gz SIJCFLNRVSFFIX-UHFFFAOYSA-N 0 0 386.434 -0.581 20 5 GBBDRN Cn1cc(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(=O)[nH]c1=O ZINC001660789874 1071646782 /nfs/dbraw/zinc/64/67/82/1071646782.db2.gz SZUWMEGDQYTZJS-UHFFFAOYSA-N 0 0 395.397 -0.095 20 5 GBBDRN COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)CCS(=O)(=O)N(C)C ZINC001661074418 1071650949 /nfs/dbraw/zinc/65/09/49/1071650949.db2.gz NIQUFYAPQCTQOH-UHFFFAOYSA-N 0 0 381.432 -0.086 20 5 GBBDRN COCCNC(=O)C1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001661258845 1071653479 /nfs/dbraw/zinc/65/34/79/1071653479.db2.gz XURJMPRTEMSJFR-UHFFFAOYSA-N 0 0 375.407 -0.508 20 5 GBBDRN COc1ccc(CNS(=O)(=O)CC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC001661521110 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Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001664408893 1071705280 /nfs/dbraw/zinc/70/52/80/1071705280.db2.gz COTMOWHNMKUJQO-LBPRGKRZSA-N 0 0 390.443 -0.265 20 5 GBBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 ZINC001664409406 1071705237 /nfs/dbraw/zinc/70/52/37/1071705237.db2.gz HOLQETOVSQDJLF-CYBMUJFWSA-N 0 0 390.443 -0.699 20 5 GBBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 ZINC001664409407 1071705190 /nfs/dbraw/zinc/70/51/90/1071705190.db2.gz HOLQETOVSQDJLF-ZDUSSCGKSA-N 0 0 390.443 -0.699 20 5 GBBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001664410229 1071706005 /nfs/dbraw/zinc/70/60/05/1071706005.db2.gz PQVXLHXBWUAQEE-LLVKDONJSA-N 0 0 376.416 -0.741 20 5 GBBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001664410230 1071705902 /nfs/dbraw/zinc/70/59/02/1071705902.db2.gz PQVXLHXBWUAQEE-NSHDSACASA-N 0 0 376.416 -0.741 20 5 GBBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001664634697 1071710084 /nfs/dbraw/zinc/71/00/84/1071710084.db2.gz NXFNKWMTVJGBLZ-SECBINFHSA-N 0 0 375.334 -0.262 20 5 GBBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001664634698 1071710009 /nfs/dbraw/zinc/71/00/09/1071710009.db2.gz NXFNKWMTVJGBLZ-VIFPVBQESA-N 0 0 375.334 -0.262 20 5 GBBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001664634765 1071710617 /nfs/dbraw/zinc/71/06/17/1071710617.db2.gz QHUJAQPPZFEVKG-JTQLQIEISA-N 0 0 387.370 -0.392 20 5 GBBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001664634766 1071710522 /nfs/dbraw/zinc/71/05/22/1071710522.db2.gz QHUJAQPPZFEVKG-SNVBAGLBSA-N 0 0 387.370 -0.392 20 5 GBBDRN Cc1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])s1 ZINC001664779834 1071712977 /nfs/dbraw/zinc/71/29/77/1071712977.db2.gz YMEPGKRIDYAFOZ-UHFFFAOYSA-N 0 0 384.461 -0.266 20 5 GBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)nc1 ZINC001664850317 1071714867 /nfs/dbraw/zinc/71/48/67/1071714867.db2.gz KCDHCQZMCKEVKE-UHFFFAOYSA-N 0 0 391.427 -0.042 20 5 GBBDRN COc1cc(S(=O)(=O)N[C@@H](CO)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001665011135 1071717625 /nfs/dbraw/zinc/71/76/25/1071717625.db2.gz JGQOGYNDJVFCGF-LLVKDONJSA-N 0 0 375.403 -0.425 20 5 GBBDRN COc1cc(S(=O)(=O)N[C@H](CO)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC001665011141 1071717548 /nfs/dbraw/zinc/71/75/48/1071717548.db2.gz JGQOGYNDJVFCGF-NSHDSACASA-N 0 0 375.403 -0.425 20 5 GBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)CN1CCOCC1 ZINC001665012089 1071717397 /nfs/dbraw/zinc/71/73/97/1071717397.db2.gz UFDNHHSHAAECDF-LLVKDONJSA-N 0 0 375.403 -0.425 20 5 GBBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)CN1CCOCC1 ZINC001665012090 1071717485 /nfs/dbraw/zinc/71/74/85/1071717485.db2.gz UFDNHHSHAAECDF-NSHDSACASA-N 0 0 375.403 -0.425 20 5 GBBDRN O=C1COC[C@@]2(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)COCCN12 ZINC001665023392 1071718210 /nfs/dbraw/zinc/71/82/10/1071718210.db2.gz CPYNEMLYKZNZBU-GFCCVEGCSA-N 0 0 377.400 -0.438 20 5 GBBDRN O=C1COC[C@]2(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)COCCN12 ZINC001665023393 1071717941 /nfs/dbraw/zinc/71/79/41/1071717941.db2.gz CPYNEMLYKZNZBU-LBPRGKRZSA-N 0 0 377.400 -0.438 20 5 GBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC001665023695 1071718157 /nfs/dbraw/zinc/71/81/57/1071718157.db2.gz LJJOUTBKIMYDSE-HNNXBMFYSA-N 0 0 385.398 -0.191 20 5 GBBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]12COCCN1C(=O)COC2 ZINC001665023696 1071718245 /nfs/dbraw/zinc/71/82/45/1071718245.db2.gz LJJOUTBKIMYDSE-OAHLLOKOSA-N 0 0 385.398 -0.191 20 5 GBBDRN CN(CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCS(C)(=O)=O ZINC001665273913 1071721900 /nfs/dbraw/zinc/72/19/00/1071721900.db2.gz HDBOPPUKINDSMD-UHFFFAOYSA-N 0 0 379.460 -0.009 20 5 GBBDRN CCn1cc(S(=O)(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC001665330703 1071722548 /nfs/dbraw/zinc/72/25/48/1071722548.db2.gz IFUYRBOVCKPMFI-NXEZZACHSA-N 0 0 378.432 -0.134 20 5 GBBDRN CCn1cc(S(=O)(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001665330704 1071722533 /nfs/dbraw/zinc/72/25/33/1071722533.db2.gz IFUYRBOVCKPMFI-UWVGGRQHSA-N 0 0 378.432 -0.134 20 5 GBBDRN CCn1cc(S(=O)(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c([N+](=O)[O-])n1 ZINC001665330705 1071722603 /nfs/dbraw/zinc/72/26/03/1071722603.db2.gz IFUYRBOVCKPMFI-VHSXEESVSA-N 0 0 378.432 -0.134 20 5 GBBDRN CCn1cc(S(=O)(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c([N+](=O)[O-])n1 ZINC001665330706 1071722695 /nfs/dbraw/zinc/72/26/95/1071722695.db2.gz IFUYRBOVCKPMFI-ZJUUUORDSA-N 0 0 378.432 -0.134 20 5 GBBDRN COc1cc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001665351504 1071723379 /nfs/dbraw/zinc/72/33/79/1071723379.db2.gz FBSRTGWXWNTSAZ-UHFFFAOYSA-N 0 0 386.430 -0.002 20 5 GBBDRN CN1C(=O)[C@H]2CN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1=O ZINC001665552069 1071727682 /nfs/dbraw/zinc/72/76/82/1071727682.db2.gz QQPSOHSLPRNDDW-DTORHVGOSA-N 0 0 397.365 -0.399 20 5 GBBDRN COc1ccc(S(=O)(=O)N[C@@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001665560211 1071727970 /nfs/dbraw/zinc/72/79/70/1071727970.db2.gz WIRZXOLNCVPUNQ-LLVKDONJSA-N 0 0 375.403 -0.425 20 5 GBBDRN COc1ccc(S(=O)(=O)N[C@H](CO)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001665560212 1071728630 /nfs/dbraw/zinc/72/86/30/1071728630.db2.gz WIRZXOLNCVPUNQ-NSHDSACASA-N 0 0 375.403 -0.425 20 5 GBBDRN COc1cc(S(=O)(=O)NC[C@]2(CO)COCCN2C)ccc1[N+](=O)[O-] ZINC001665562278 1071728360 /nfs/dbraw/zinc/72/83/60/1071728360.db2.gz VIJSRJUPONOKDL-AWEZNQCLSA-N 0 0 375.403 -0.425 20 5 GBBDRN COc1cc(S(=O)(=O)NC[C@@]2(CO)COCCN2C)ccc1[N+](=O)[O-] ZINC001665562279 1071728375 /nfs/dbraw/zinc/72/83/75/1071728375.db2.gz VIJSRJUPONOKDL-CQSZACIVSA-N 0 0 375.403 -0.425 20 5 GBBDRN O=C1COC[C@]2(CNS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)COCCN12 ZINC001665577704 1071728372 /nfs/dbraw/zinc/72/83/72/1071728372.db2.gz CZCASBDZTQVMJN-HNNXBMFYSA-N 0 0 385.398 -0.358 20 5 GBBDRN O=C1COC[C@@]2(CNS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)COCCN12 ZINC001665577705 1071728416 /nfs/dbraw/zinc/72/84/16/1071728416.db2.gz CZCASBDZTQVMJN-OAHLLOKOSA-N 0 0 385.398 -0.358 20 5 GBBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001665714995 1071731936 /nfs/dbraw/zinc/73/19/36/1071731936.db2.gz BIFDKULYFJTWOY-GFCCVEGCSA-N 0 0 390.443 -0.699 20 5 GBBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001665714996 1071731869 /nfs/dbraw/zinc/73/18/69/1071731869.db2.gz BIFDKULYFJTWOY-LBPRGKRZSA-N 0 0 390.443 -0.699 20 5 GBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN3CCOC[C@@]3(CO)C2)c(F)c1 ZINC001665831004 1071734327 /nfs/dbraw/zinc/73/43/27/1071734327.db2.gz UYALJUAQELVSSA-AWEZNQCLSA-N 0 0 375.378 -0.199 20 5 GBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN3CCOC[C@]3(CO)C2)c(F)c1 ZINC001665831005 1071734135 /nfs/dbraw/zinc/73/41/35/1071734135.db2.gz UYALJUAQELVSSA-CQSZACIVSA-N 0 0 375.378 -0.199 20 5 GBBDRN CN(CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCS(C)(=O)=O ZINC001665854937 1071734923 /nfs/dbraw/zinc/73/49/23/1071734923.db2.gz YZCSJRPFLUFFCC-UHFFFAOYSA-N 0 0 379.460 -0.009 20 5 GBBDRN COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001665948839 1071737435 /nfs/dbraw/zinc/73/74/35/1071737435.db2.gz NGWDRPSQRWTALR-UHFFFAOYSA-N 0 0 386.430 -0.002 20 5 GBBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001665954981 1071737199 /nfs/dbraw/zinc/73/71/99/1071737199.db2.gz MAEJXWGRCDZLJV-LLVKDONJSA-N 0 0 387.370 -0.392 20 5 GBBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001665954982 1071737197 /nfs/dbraw/zinc/73/71/97/1071737197.db2.gz MAEJXWGRCDZLJV-NSHDSACASA-N 0 0 387.370 -0.392 20 5 GBBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1C[C@H](CO)[C@H](CCO)C1)OCCO2 ZINC001666172008 1071741626 /nfs/dbraw/zinc/74/16/26/1071741626.db2.gz YYSPKQKEFZYSJU-GHMZBOCLSA-N 0 0 388.398 -0.023 20 5 GBBDRN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1C[C@@H](CO)[C@H](CCO)C1)OCCO2 ZINC001666172009 1071741801 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BVIKOQCLYGZZHY-SECBINFHSA-N 0 0 380.379 -0.743 20 5 GBBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c(F)c1 ZINC001666335101 1071745323 /nfs/dbraw/zinc/74/53/23/1071745323.db2.gz BVIKOQCLYGZZHY-VIFPVBQESA-N 0 0 380.379 -0.743 20 5 GBBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3[C@H](CNS3(=O)=O)C2)c1C ZINC001666336565 1071745456 /nfs/dbraw/zinc/74/54/56/1071745456.db2.gz ZSKWOAHQLSGLCM-LLVKDONJSA-N 0 0 390.443 -0.265 20 5 GBBDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)c1C ZINC001666336566 1071745565 /nfs/dbraw/zinc/74/55/65/1071745565.db2.gz ZSKWOAHQLSGLCM-NSHDSACASA-N 0 0 390.443 -0.265 20 5 GBBDRN COc1ccc(S(=O)(=O)N2CCN3CCOC[C@@]3(CO)C2)c([N+](=O)[O-])c1 ZINC001666430165 1071747479 /nfs/dbraw/zinc/74/74/79/1071747479.db2.gz TYMJIASBWXLIDM-HNNXBMFYSA-N 0 0 387.414 -0.329 20 5 GBBDRN COc1ccc(S(=O)(=O)N2CCN3CCOC[C@]3(CO)C2)c([N+](=O)[O-])c1 ZINC001666430166 1071747443 /nfs/dbraw/zinc/74/74/43/1071747443.db2.gz TYMJIASBWXLIDM-OAHLLOKOSA-N 0 0 387.414 -0.329 20 5 GBBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001666430390 1071747484 /nfs/dbraw/zinc/74/74/84/1071747484.db2.gz XWHHWIHPDLYGFR-HNNXBMFYSA-N 0 0 387.414 -0.329 20 5 GBBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001666430391 1071747593 /nfs/dbraw/zinc/74/75/93/1071747593.db2.gz XWHHWIHPDLYGFR-OAHLLOKOSA-N 0 0 387.414 -0.329 20 5 GBBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001666551672 1071750663 /nfs/dbraw/zinc/75/06/63/1071750663.db2.gz CDVSXLDTPFAXFB-JTQLQIEISA-N 0 0 387.370 -0.392 20 5 GBBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001666551673 1071750839 /nfs/dbraw/zinc/75/08/39/1071750839.db2.gz CDVSXLDTPFAXFB-SNVBAGLBSA-N 0 0 387.370 -0.392 20 5 GBBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001666552373 1071750852 /nfs/dbraw/zinc/75/08/52/1071750852.db2.gz SDTRJHLGPSRTLN-MRVPVSSYSA-N 0 0 377.400 -0.031 20 5 GBBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001666552380 1071750910 /nfs/dbraw/zinc/75/09/10/1071750910.db2.gz SDTRJHLGPSRTLN-QMMMGPOBSA-N 0 0 377.400 -0.031 20 5 GBBDRN COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001666552719 1071750711 /nfs/dbraw/zinc/75/07/11/1071750711.db2.gz ZLFGVXGBEPEWLH-CYBMUJFWSA-N 0 0 385.398 -0.217 20 5 GBBDRN COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC001666552720 1071750673 /nfs/dbraw/zinc/75/06/73/1071750673.db2.gz ZLFGVXGBEPEWLH-ZDUSSCGKSA-N 0 0 385.398 -0.217 20 5 GBBDRN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CCNC1=S ZINC001666852652 1071755422 /nfs/dbraw/zinc/75/54/22/1071755422.db2.gz UIDWMVJUBBKFIG-UHFFFAOYSA-N 0 0 388.427 -0.150 20 5 GBBDRN Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001668579521 1071771041 /nfs/dbraw/zinc/77/10/41/1071771041.db2.gz WFFLVZYMLLYOIT-UHFFFAOYSA-N 0 0 392.416 -0.272 20 5 GBBDRN CC(=O)NCC(=O)N1CCCN(C(=O)Nc2c(C)cncc2[N+](=O)[O-])CC1 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